 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer02_STD_LCPBE_augccpVDZ.in
 Output=21_phenylethanol_conformer02_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-242336.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    242337.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=21_phenylethanol_conformer02_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026600000
 0,3/108=0266000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=266000000,108=266000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "21_phenylethanol_conformer02_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.283987000000      1.156120000000     -0.373456000000
  C                                                -1.655795000000     -0.121273000000     -0.366360000000
  H                                                -2.318612000000      1.484471000000      0.532599000000
  H                                                -1.860649000000     -0.525090000000     -1.361656000000
  C                                                -2.302509000000     -1.029603000000      0.677627000000
  C                                                -0.147700000000     -0.039181000000     -0.192779000000
  H                                                -2.124690000000     -0.633553000000      1.681464000000
  H                                                -1.888324000000     -2.037154000000      0.643744000000
  H                                                -3.377784000000     -1.087470000000      0.505904000000
  C                                                 0.491776000000      1.164959000000      0.083802000000
  C                                                 1.871834000000      1.212975000000      0.256826000000
  C                                                 2.632604000000      0.057673000000      0.146221000000
  C                                                 2.004188000000     -1.148889000000     -0.145245000000
  C                                                 0.627734000000     -1.194232000000     -0.312182000000
  H                                                -0.089333000000      2.074672000000      0.140318000000
  H                                                 2.351589000000      2.159628000000      0.471088000000
  H                                                 3.706229000000      0.095350000000      0.277421000000
  H                                                 2.588377000000     -2.054912000000     -0.244841000000
  H                                                 0.152296000000     -2.139482000000     -0.545858000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.423520   0.000000
     3  H    0.964339   1.955982   0.000000
     4  H    1.995550   1.093457   2.799333   0.000000
     5  C    2.425387   1.527485   2.518305   2.146730   0.000000
     6  C    2.454610   1.520270   2.749645   2.129924   2.526211
     7  H    2.729652   2.162378   2.417338   3.056479   1.093693
     8  H    3.374647   2.178297   3.549555   2.511719   1.089888
     9  H    2.646387   2.158617   2.781625   2.470982   1.090437
    10  C    2.813187   2.543443   2.863876   3.237208   3.602327
    11  C    4.203729   3.822662   4.208277   4.424001   4.757244
    12  C    5.064535   4.322630   5.167164   4.775210   5.081329
    13  C    4.873766   3.807934   5.106922   4.099481   4.386227
    14  C    3.742463   2.523625   4.070634   2.782301   3.097281
    15  H    2.433970   2.744577   2.339211   3.486008   3.850113
    16  H    4.817556   4.686465   4.719152   5.320678   5.645749
    17  H    6.118134   5.404876   6.188173   5.836236   6.126224
    18  H    5.836711   4.665482   6.100015   4.835438   5.081631
    19  H    4.101974   2.715618   4.516801   2.706240   2.958854
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.788289   0.000000
     8  H    2.778748   1.761484   0.000000
     9  H    3.467061   1.777140   1.771833   0.000000
    10  C    1.391179   3.554302   4.028888   4.497233   0.000000
    11  C    2.418379   4.627252   4.985161   5.736948   1.391691
    12  C    2.802569   5.046445   5.007456   6.129069   2.411042
    13  C    2.421639   4.544235   4.069787   5.421567   2.773760
    14  C    1.396316   3.444535   2.820436   4.089601   2.396053
    15  H    2.140732   3.721867   4.516295   4.576757   1.080953
    16  H    3.394396   5.413312   5.968220   6.585634   2.144356
    17  H    3.884837   6.041709   5.998399   7.185716   3.393267
    18  H    3.398823   5.286200   4.564072   6.090537   3.856334
    19  H    2.150797   3.523273   2.364266   3.830718   3.380983
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387706   0.000000
    13  C    2.399496   1.391277   0.000000
    14  C    2.768790   2.407676   1.387281   0.000000
    15  H    2.145291   3.387811   3.854312   3.377081   0.000000
    16  H    1.082693   2.145396   3.383318   3.851437   2.464696
    17  H    2.148142   1.082268   2.150284   3.389363   4.282850
    18  H    3.382926   2.148930   1.082624   2.142295   4.936795
    19  H    3.852283   3.385025   2.138053   1.083579   4.276484
                   16         17         18         19
    16  H    0.000000
    17  H    2.476651   0.000000
    18  H    4.281468   2.479108   0.000000
    19  H    4.934918   4.278166   2.456065   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.70D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4642690           1.1625108           0.9300830
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3601437934 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.266000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.266000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              11.3 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.79D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer02_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:57 2021, MaxMem=  5637144576 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636940527 LenY=  5636840861
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -384.925061221227    
 DIIS: error= 2.95D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -384.925061221227     IErMin= 1 ErrMin= 2.95D-03
 ErrMax= 2.95D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.45D-03 BMatP= 9.45D-03
 IDIUse=3 WtCom= 9.71D-01 WtEn= 2.95D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.383 Goal=   None    Shift=    0.000
 GapD=    0.383 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.00D-02 MaxDP=2.90D+00              OVMax= 1.97D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.18D-02    CP:  1.54D+00
 E= -384.933480701682     Delta-E=       -0.008419480455 Rises=F Damp=F
 DIIS: error= 9.82D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -384.933480701682     IErMin= 2 ErrMin= 9.82D-04
 ErrMax= 9.82D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.10D-04 BMatP= 9.45D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.82D-03
 Coeff-Com:  0.889D-01 0.911D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.880D-01 0.912D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=8.19D-03 MaxDP=4.99D-01 DE=-8.42D-03 OVMax= 8.95D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.67D-03    CP:  1.62D+00  1.16D+00
 E= -384.933623873527     Delta-E=       -0.000143171845 Rises=F Damp=F
 DIIS: error= 8.98D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -384.933623873527     IErMin= 3 ErrMin= 8.98D-04
 ErrMax= 8.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.78D-04 BMatP= 9.10D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.98D-03
 Coeff-Com: -0.332D-01 0.505D+00 0.528D+00
 Coeff-En:   0.000D+00 0.443D+00 0.557D+00
 Coeff:     -0.329D-01 0.504D+00 0.529D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.80D-03 MaxDP=1.06D-01 DE=-1.43D-04 OVMax= 6.06D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.94D-04    CP:  1.65D+00  1.19D+00  1.14D+00
 E= -384.934250156020     Delta-E=       -0.000626282493 Rises=F Damp=F
 DIIS: error= 7.64D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -384.934250156020     IErMin= 4 ErrMin= 7.64D-05
 ErrMax= 7.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.69D-06 BMatP= 8.78D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.771D-02 0.362D-01 0.941D-01 0.877D+00
 Coeff:     -0.771D-02 0.362D-01 0.941D-01 0.877D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=4.82D-04 MaxDP=2.60D-02 DE=-6.26D-04 OVMax= 7.68D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.08D-04    CP:  1.65D+00  1.20D+00  1.21D+00  1.12D+00
 E= -384.934257675230     Delta-E=       -0.000007519209 Rises=F Damp=F
 DIIS: error= 5.64D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -384.934257675230     IErMin= 5 ErrMin= 5.64D-05
 ErrMax= 5.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-06 BMatP= 7.69D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.516D-03-0.426D-01-0.198D-01 0.337D+00 0.725D+00
 Coeff:      0.516D-03-0.426D-01-0.198D-01 0.337D+00 0.725D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=9.36D-05 MaxDP=4.42D-03 DE=-7.52D-06 OVMax= 3.68D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.11D-05    CP:  1.65D+00  1.20D+00  1.24D+00  1.11D+00  1.10D+00
 E= -384.934259376645     Delta-E=       -0.000001701415 Rises=F Damp=F
 DIIS: error= 1.08D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -384.934259376645     IErMin= 6 ErrMin= 1.08D-05
 ErrMax= 1.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-07 BMatP= 1.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.651D-03-0.166D-01-0.121D-01 0.606D-01 0.252D+00 0.715D+00
 Coeff:      0.651D-03-0.166D-01-0.121D-01 0.606D-01 0.252D+00 0.715D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.90D-05 MaxDP=9.09D-04 DE=-1.70D-06 OVMax= 1.56D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.82D-06    CP:  1.65D+00  1.20D+00  1.24D+00  1.11D+00  1.20D+00
                    CP:  1.04D+00
 E= -384.934259498997     Delta-E=       -0.000000122352 Rises=F Damp=F
 DIIS: error= 3.89D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -384.934259498997     IErMin= 7 ErrMin= 3.89D-06
 ErrMax= 3.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-08 BMatP= 1.01D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.265D-03-0.133D-02-0.262D-02-0.217D-01 0.224D-02 0.304D+00
 Coeff-Com:  0.719D+00
 Coeff:      0.265D-03-0.133D-02-0.262D-02-0.217D-01 0.224D-02 0.304D+00
 Coeff:      0.719D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.14D-05 MaxDP=7.12D-04 DE=-1.22D-07 OVMax= 4.55D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.23D-06    CP:  1.65D+00  1.20D+00  1.24D+00  1.11D+00  1.23D+00
                    CP:  1.12D+00  1.04D+00
 E= -384.934259523072     Delta-E=       -0.000000024074 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -384.934259523072     IErMin= 8 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.12D-10 BMatP= 1.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.396D-04 0.162D-02 0.996D-03-0.111D-01-0.296D-01-0.170D-01
 Coeff-Com:  0.138D+00 0.917D+00
 Coeff:     -0.396D-04 0.162D-02 0.996D-03-0.111D-01-0.296D-01-0.170D-01
 Coeff:      0.138D+00 0.917D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.87D-06 MaxDP=2.80D-04 DE=-2.41D-08 OVMax= 1.80D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.96D-07    CP:  1.65D+00  1.20D+00  1.24D+00  1.11D+00  1.24D+00
                    CP:  1.15D+00  1.09D+00  1.08D+00
 E= -384.934259524653     Delta-E=       -0.000000001582 Rises=F Damp=F
 DIIS: error= 2.17D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -384.934259524653     IErMin= 9 ErrMin= 2.17D-07
 ErrMax= 2.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-11 BMatP= 7.12D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.202D-04 0.361D-03 0.313D-03-0.976D-03-0.552D-02-0.177D-01
 Coeff-Com: -0.151D-01 0.172D+00 0.867D+00
 Coeff:     -0.202D-04 0.361D-03 0.313D-03-0.976D-03-0.552D-02-0.177D-01
 Coeff:     -0.151D-01 0.172D+00 0.867D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=3.21D-07 MaxDP=1.18D-05 DE=-1.58D-09 OVMax= 3.87D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.41D-07    CP:  1.65D+00  1.20D+00  1.24D+00  1.11D+00  1.25D+00
                    CP:  1.15D+00  1.10D+00  1.11D+00  1.07D+00
 E= -384.934259524694     Delta-E=       -0.000000000041 Rises=F Damp=F
 DIIS: error= 1.20D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -384.934259524694     IErMin=10 ErrMin= 1.20D-07
 ErrMax= 1.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-11 BMatP= 4.42D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.337D-05-0.585D-04 0.111D-05 0.109D-02 0.166D-02-0.509D-02
 Coeff-Com: -0.252D-01-0.471D-01 0.369D+00 0.705D+00
 Coeff:     -0.337D-05-0.585D-04 0.111D-05 0.109D-02 0.166D-02-0.509D-02
 Coeff:     -0.252D-01-0.471D-01 0.369D+00 0.705D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.28D-07 MaxDP=1.12D-05 DE=-4.09D-11 OVMax= 1.66D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.21D-08    CP:  1.65D+00  1.20D+00  1.24D+00  1.11D+00  1.25D+00
                    CP:  1.14D+00  1.10D+00  1.12D+00  1.14D+00  8.77D-01
 E= -384.934259524748     Delta-E=       -0.000000000054 Rises=F Damp=F
 DIIS: error= 3.71D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -384.934259524748     IErMin=11 ErrMin= 3.71D-08
 ErrMax= 3.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.48D-13 BMatP= 1.25D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.968D-06-0.486D-04-0.305D-04 0.395D-03 0.923D-03 0.188D-03
 Coeff-Com: -0.508D-02-0.277D-01 0.121D-01 0.192D+00 0.827D+00
 Coeff:      0.968D-06-0.486D-04-0.305D-04 0.395D-03 0.923D-03 0.188D-03
 Coeff:     -0.508D-02-0.277D-01 0.121D-01 0.192D+00 0.827D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=9.24D-08 MaxDP=4.89D-06 DE=-5.40D-11 OVMax= 6.84D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.22D-08    CP:  1.65D+00  1.20D+00  1.24D+00  1.11D+00  1.24D+00
                    CP:  1.14D+00  1.10D+00  1.12D+00  1.14D+00  9.37D-01
                    CP:  1.09D+00
 E= -384.934259524744     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 1.49D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -384.934259524748     IErMin=12 ErrMin= 1.49D-08
 ErrMax= 1.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-13 BMatP= 7.48D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.665D-06-0.107D-04-0.118D-04 0.271D-04 0.129D-03 0.570D-03
 Coeff-Com:  0.961D-03-0.450D-02-0.337D-01-0.756D-02 0.273D+00 0.771D+00
 Coeff:      0.665D-06-0.107D-04-0.118D-04 0.271D-04 0.129D-03 0.570D-03
 Coeff:      0.961D-03-0.450D-02-0.337D-01-0.756D-02 0.273D+00 0.771D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.29D-08 MaxDP=1.24D-06 DE= 4.43D-12 OVMax= 3.23D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.61D-09    CP:  1.65D+00  1.20D+00  1.24D+00  1.11D+00  1.24D+00
                    CP:  1.14D+00  1.10D+00  1.11D+00  1.14D+00  9.45D-01
                    CP:  1.16D+00  1.04D+00
 E= -384.934259524714     Delta-E=        0.000000000030 Rises=F Damp=F
 DIIS: error= 8.26D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -384.934259524748     IErMin=13 ErrMin= 8.26D-09
 ErrMax= 8.26D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-14 BMatP= 1.17D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.838D-07 0.510D-05 0.937D-06-0.629D-04-0.131D-03 0.169D-03
 Coeff-Com:  0.134D-02 0.355D-02-0.154D-01-0.405D-01-0.582D-01 0.275D+00
 Coeff-Com:  0.834D+00
 Coeff:      0.838D-07 0.510D-05 0.937D-06-0.629D-04-0.131D-03 0.169D-03
 Coeff:      0.134D-02 0.355D-02-0.154D-01-0.405D-01-0.582D-01 0.275D+00
 Coeff:      0.834D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=5.74D-09 MaxDP=1.63D-07 DE= 3.01D-11 OVMax= 1.74D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -384.934259525     A.U. after   13 cycles
            NFock= 13  Conv=0.57D-08     -V/T= 2.0047
 KE= 3.831338742677D+02 PE=-1.747537103868D+03 EE= 5.541088262820D+02
 Leave Link  502 at Mon Aug 16 21:22:05 2021, MaxMem=  5637144576 cpu:            1019.9 elap:             127.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.10669246D+03

 Leave Link  801 at Mon Aug 16 21:22:05 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.43D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 2.16D-01 7.15D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 4.10D-02 5.16D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 3.45D-03 1.27D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.54D-04 2.94D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 1.27D-05 5.01D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 6.17D-07 1.19D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.97D-08 2.50D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 5.01D-10 3.93D-06.
     11 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 1.01D-11 4.61D-07.
      8 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 2.03D-13 4.19D-08.
      2 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 7.86D-15 8.58D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.130610D+03
      2  0.153281D+01  0.108459D+03
      3  0.199080D+01  0.523820D+01  0.720904D+02
 Isotropic polarizability for W=    0.085645      103.72 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.941251D+02  0.524477D+01  0.745679D+01
      2  -0.417200D+02 -0.141693D+02 -0.134368D+02
      3  -0.524052D+02  0.892453D+01  0.598002D+01
      4  -0.273163D+02  0.705349D+02  0.221453D+02
      5   0.283574D+02  0.235480D+02 -0.694071D+01
      6   0.871887D+01  0.108842D+02 -0.156608D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.774086D+00  0.683549D+00  0.719340D+01
      2   0.100531D+02  0.927025D+01 -0.140996D+01
      3  -0.594092D+01 -0.396977D+02 -0.885042D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.140264D+01  0.243211D+02  0.245853D+02
      2  -0.209007D+02  0.134265D+02  0.454645D+02
      3  -0.325610D+02 -0.112255D+03 -0.148291D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.560575D+00 -0.225660D+01 -0.131009D+01
      2  -0.225660D+01 -0.145563D+01  0.192813D+01
      3  -0.131009D+01  0.192813D+01  0.540800D+00
 OR G Eigenvalues:    -3.2051    -0.7474     3.5982  Iso=     0.1181
 Eigenvectors:
   (1)   0.411802   0.860803  -0.299062
   (2)   0.658425  -0.054178   0.750694
   (3)   0.629996  -0.506047  -0.589085
 w=    0.085645 a.u., Optical Rotation Beta=      0.1181 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       45.84 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.96D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.60D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.43D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 2.70D-02 3.99D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.01D-03 5.98D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.56D-05 8.06D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 2.46D-07 8.33D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 3.10D-09 7.66D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 3.13D-11 7.69D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 2.42D-13 6.28D-08.
     12 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 3.17D-15 5.68D-09.
      1 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 8.29D-16 3.71D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   253 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.28D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.28D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.18D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130610D+03  0.153281D+01  0.199080D+01
      2   0.153281D+01  0.108459D+03  0.523820D+01
      3   0.199080D+01  0.523820D+01  0.720904D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.774086D+00  0.683549D+00  0.719340D+01
      2   0.100531D+02  0.927025D+01 -0.140996D+01
      3  -0.594092D+01 -0.396977D+02 -0.885042D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.941251D+02  0.524477D+01  0.745679D+01
      2  -0.417200D+02 -0.141693D+02 -0.134368D+02
      3  -0.524052D+02  0.892453D+01  0.598002D+01
      4  -0.273163D+02  0.705349D+02  0.221453D+02
      5   0.283574D+02  0.235480D+02 -0.694071D+01
      6   0.871887D+01  0.108842D+02 -0.156608D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.298387D+01  0.221483D+01 -0.665361D+00  0.102755D+01 -0.213681D+01
      2   0.221483D+01 -0.131934D+01  0.112024D+01 -0.213681D+01  0.225835D+01
      3  -0.665361D+00  0.112024D+01  0.703242D-01  0.138946D+01 -0.231578D+01
                 6             7             8             9            10 
      1   0.138946D+01 -0.209003D+01  0.146254D+01 -0.449516D+00  0.445658D+01
      2  -0.231578D+01  0.146254D+01 -0.287330D+01 -0.702958D+00  0.184394D+01
      3  -0.173174D+01 -0.449516D+00 -0.702958D+00 -0.470866D+01  0.177345D+00
                11            12            13            14            15 
      1   0.184394D+01  0.177345D+00  0.617286D+01  0.366786D+01 -0.131603D+01
      2   0.170198D+01 -0.110302D+01  0.366786D+01  0.142120D+00  0.825698D+00
      3  -0.110302D+01  0.123515D+01 -0.131603D+01  0.825698D+00  0.426491D+01
                16            17            18            19            20 
      1  -0.509275D-01 -0.137696D+01  0.367087D+01 -0.567065D+00  0.450857D+00
      2  -0.137696D+01 -0.340563D+00  0.328910D+01  0.450857D+00 -0.552612D+00
      3   0.367087D+01  0.328910D+01  0.533593D+01  0.253567D+00 -0.266788D+00
                21            22            23            24            25 
      1   0.253567D+00  0.133624D+01 -0.878639D+00 -0.513709D+00  0.221096D+01
      2  -0.266788D+00 -0.878639D+00  0.240186D+01  0.107970D+01 -0.113168D+01
      3  -0.524305D+00 -0.513709D+00  0.107970D+01  0.178645D+01 -0.129024D+01
                26            27            28            29            30 
      1  -0.113168D+01 -0.129024D+01 -0.198456D+01 -0.716093D+00 -0.159251D+01
      2   0.295366D+01  0.215596D+01 -0.716093D+00 -0.614591D+00 -0.187835D+00
      3   0.215596D+01  0.435877D+01 -0.159251D+01 -0.187835D+00 -0.145330D+01
                31            32            33            34            35 
      1  -0.272673D+01 -0.159096D+01 -0.578847D+00 -0.418123D+01 -0.577572D+00
      2  -0.159096D+01 -0.124652D+01 -0.143079D+01 -0.577572D+00 -0.162369D+01
      3  -0.578847D+00 -0.143079D+01 -0.232965D+01 -0.283631D+01 -0.182582D+01
                36            37            38            39            40 
      1  -0.283631D+01  0.811969D+01  0.764694D+00  0.153436D+01 -0.263031D+01
      2  -0.182582D+01  0.764694D+00 -0.279570D+01  0.830571D+00 -0.337165D+01
      3  -0.743651D+01  0.153436D+01  0.830571D+00 -0.158599D+01  0.144091D+01
                41            42            43            44            45 
      1  -0.337165D+01  0.144091D+01  0.483613D+01  0.204639D+01 -0.188972D+01
      2   0.312064D+01  0.294699D+00  0.204639D+01  0.759110D+00 -0.282849D+01
      3   0.294699D+00 -0.308846D+01 -0.188972D+01 -0.282849D+01 -0.465679D+01
                46            47            48            49            50 
      1  -0.172270D+02 -0.247408D+01 -0.606363D+00 -0.329530D+01  0.183373D+01
      2  -0.247408D+01 -0.258012D+01 -0.100681D+00  0.183373D+01 -0.157442D+00
      3  -0.606363D+00 -0.100681D+00 -0.193382D+01  0.101727D+01  0.201842D-01
                51            52            53            54            55 
      1   0.101727D+01 -0.692790D+00  0.873475D+00 -0.371407D+01 -0.327721D+00
      2   0.201842D-01  0.873475D+00 -0.649006D-01 -0.573353D+00  0.161014D+00
      3  -0.457466D+00 -0.371407D+01 -0.573353D+00 -0.154563D+01  0.521028D+00
                56            57            58            59            60 
      1   0.161014D+00  0.521028D+00  0.109411D+01  0.153326D+00 -0.545947D+00
      2   0.633658D+00 -0.120624D+00  0.153326D+00  0.527805D+00  0.101021D+01
      3  -0.120624D+00  0.110517D+01 -0.545947D+00  0.101021D+01  0.230973D+01
                61            62            63            64            65 
      1   0.133566D+01  0.103355D+00 -0.692044D+00  0.769193D+00 -0.733517D+00
      2   0.103355D+00  0.154863D+01  0.639167D+00 -0.733517D+00  0.169328D+01
      3  -0.692044D+00  0.639167D+00  0.717445D+01 -0.331512D+00 -0.385167D+00
                66            67            68            69            70 
      1  -0.331512D+00 -0.200251D+01  0.393346D+00  0.162258D+00 -0.635165D+00
      2  -0.385167D+00  0.393346D+00 -0.739280D+01  0.673671D+00 -0.282601D+00
      3   0.645806D+00  0.162258D+00  0.673671D+00 -0.121046D+01  0.184679D+00
                71            72            73            74            75 
      1  -0.282601D+00  0.184679D+00 -0.132421D+02 -0.226234D+01  0.136304D+00
      2   0.243577D+00 -0.677821D+00 -0.226234D+01 -0.148645D+01  0.142683D+00
      3  -0.677821D+00  0.617160D+00  0.136304D+00  0.142683D+00 -0.134584D+01
                76            77            78            79            80 
      1  -0.501728D+00 -0.107672D+01 -0.192534D+00 -0.227781D+01 -0.479220D+00
      2  -0.107672D+01 -0.866774D+00 -0.443108D-01 -0.479220D+00 -0.571711D+00
      3  -0.192534D+00 -0.443108D-01  0.239515D+00 -0.978880D+00  0.576281D-01
                81            82            83            84            85 
      1  -0.978880D+00  0.449991D+01 -0.905307D+00  0.365123D+00  0.772909D+01
      2   0.576281D-01 -0.905307D+00 -0.323494D+01 -0.878951D+00  0.109361D+00
      3  -0.200663D-01  0.365123D+00 -0.878951D+00 -0.196995D+01  0.778863D-01
                86            87            88            89            90 
      1   0.109361D+00  0.778863D-01  0.258710D+01 -0.259208D+00 -0.176111D+01
      2   0.162598D+01 -0.452312D+00 -0.259208D+00 -0.116288D+01  0.344009D+01
      3  -0.452312D+00  0.180480D+01 -0.176111D+01  0.344009D+01  0.843248D+00
                91            92            93            94            95 
      1  -0.343551D+01 -0.160376D+00 -0.540897D+00  0.514415D+01 -0.185540D-01
      2  -0.160376D+00  0.291386D+01 -0.264988D+00 -0.185540D-01  0.114254D+01
      3  -0.540897D+00 -0.264988D+00  0.991871D+00 -0.180169D+00 -0.848462D+00
                96            97            98            99           100 
      1  -0.180169D+00  0.167064D+00 -0.980380D+00  0.216973D+01  0.580457D+01
      2  -0.848462D+00 -0.980380D+00 -0.791650D+00  0.386193D+01  0.319055D+00
      3   0.205352D+01  0.216973D+01  0.386193D+01  0.233928D+01 -0.646454D+00
               101           102           103           104           105 
      1   0.319055D+00 -0.646454D+00  0.823212D+00 -0.753975D+00 -0.114473D+01
      2   0.312445D+01  0.271445D-01 -0.753975D+00 -0.775181D-01 -0.347432D+00
      3   0.271445D-01  0.279673D+01 -0.114473D+01 -0.347432D+00 -0.873718D-01
               106           107           108           109           110 
      1  -0.318484D+00 -0.107248D+01  0.527466D+01 -0.260046D+01 -0.216738D+00
      2  -0.107248D+01  0.327642D+00  0.748136D-01 -0.216738D+00  0.262306D+01
      3   0.527466D+01  0.748136D-01  0.131300D+01 -0.479709D+00  0.834373D+00
               111           112           113           114           115 
      1  -0.479709D+00 -0.562205D+01 -0.441911D+00 -0.817458D+00 -0.195315D+01
      2   0.834373D+00 -0.441911D+00 -0.878204D+00  0.980178D+00 -0.169965D+00
      3   0.154056D+01 -0.817458D+00  0.980178D+00 -0.215840D+01  0.280403D+01
               116           117           118           119           120 
      1  -0.169965D+00  0.280403D+01  0.385642D+01  0.176093D+01  0.587474D+00
      2   0.147584D+01 -0.338583D+01  0.176093D+01 -0.298681D+01  0.112635D+00
      3  -0.338583D+01 -0.113727D+01  0.587474D+00  0.112635D+00 -0.123615D+01
               121           122           123           124           125 
      1  -0.653160D+01 -0.770576D+00  0.254120D+00 -0.548320D-01  0.921648D+00
      2  -0.770576D+00 -0.146060D+01  0.894889D+00  0.921648D+00  0.517950D+00
      3   0.254120D+00  0.894889D+00 -0.132829D+01 -0.932497D+00 -0.325649D+01
               126           127           128           129           130 
      1  -0.932497D+00 -0.293507D+01  0.202844D+01  0.339543D-02  0.239095D+01
      2  -0.325649D+01  0.202844D+01 -0.257278D+01 -0.974863D-01 -0.270865D+01
      3  -0.226698D+01  0.339543D-02 -0.974863D-01 -0.237914D+00 -0.246598D+00
               131           132           133           134           135 
      1  -0.270865D+01 -0.246598D+00 -0.288474D+00 -0.393706D-01  0.866690D-01
      2   0.698356D+01  0.432044D+00 -0.393706D-01  0.453936D+00  0.111855D+00
      3   0.432044D+00  0.849897D+00  0.866690D-01  0.111855D+00 -0.480069D-01
               136           137           138           139           140 
      1   0.287746D+01  0.293719D+01  0.712780D+00  0.280279D+01  0.402860D+01
      2   0.293719D+01  0.317982D+01  0.716972D+00  0.402860D+01  0.862193D+01
      3   0.712780D+00  0.716972D+00  0.639293D+00  0.804730D+00  0.159488D+01
               141           142           143           144           145 
      1   0.804730D+00  0.759585D+00  0.982795D+00  0.287105D+00  0.130593D+02
      2   0.159488D+01  0.982795D+00  0.178498D+01  0.360890D+00  0.374314D+00
      3   0.124259D+01  0.287105D+00  0.360890D+00  0.277959D+00  0.129993D+01
               146           147           148           149           150 
      1   0.374314D+00  0.129993D+01  0.278012D+00  0.154422D+01  0.313027D+00
      2   0.883770D+00  0.113958D-01  0.154422D+01  0.139468D+00  0.162876D+00
      3   0.113958D-01  0.114854D+01  0.313027D+00  0.162876D+00  0.955387D-01
               151           152           153           154           155 
      1   0.151970D+01  0.339912D+00  0.124267D+00  0.401114D+01 -0.348414D+01
      2   0.339912D+00  0.108834D+00  0.222901D-01 -0.348414D+01  0.355111D+01
      3   0.124267D+00  0.222901D-01  0.155024D+00 -0.319184D+00  0.247845D+00
               156           157           158           159           160 
      1  -0.319184D+00 -0.345146D+01  0.439521D+01  0.601755D+00 -0.212232D+00
      2   0.247845D+00  0.439521D+01 -0.752558D+01 -0.849343D+00  0.399134D+00
      3   0.579371D+00  0.601755D+00 -0.849343D+00 -0.968790D+00  0.992843D-01
               161           162           163           164           165 
      1   0.399134D+00  0.992843D-01 -0.215089D+01 -0.190267D+01 -0.409324D+00
      2  -0.978580D+00 -0.223119D+00 -0.190267D+01 -0.216163D+01 -0.638318D+00
      3  -0.223119D+00 -0.150572D+00 -0.409324D+00 -0.638318D+00 -0.465560D+00
               166           167           168           169           170 
      1  -0.203726D+01 -0.237721D+01 -0.525400D+00 -0.661081D+00 -0.759818D+00
      2  -0.237721D+01 -0.735883D+01 -0.168060D+01 -0.759818D+00 -0.176688D+01
      3  -0.525400D+00 -0.168060D+01 -0.128631D+01 -0.156902D+00 -0.539838D+00
               171 
      1  -0.156902D+00
      2  -0.539838D+00
      3  -0.444336D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.287098D+00 -0.516094D+00  0.771490D+00 -0.345669D+00 -0.761055D-01
      2  -0.817367D+00 -0.507583D+00  0.468302D+01 -0.115143D+01  0.427773D+01
      3   0.262236D+01 -0.920267D+01  0.153773D+01  0.207312D+01  0.652830D+01
                 6             7             8             9            10 
      1  -0.698370D+00 -0.444332D+01  0.654150D+01  0.823724D+01 -0.233327D+01
      2   0.334893D+01 -0.105810D+01  0.401565D+01  0.113711D+02  0.110718D+01
      3  -0.538149D+01 -0.616834D+00 -0.642212D+01 -0.243515D+01  0.722640D+01
                11            12            13            14            15 
      1   0.963997D-01  0.829067D+00 -0.983958D+00 -0.391638D+00  0.566075D+00
      2   0.166605D+01 -0.123064D+01  0.428160D+01  0.476948D+00 -0.638185D+01
      3   0.230520D+01 -0.344411D+00  0.122513D+02 -0.691597D+01  0.164894D+01
                16            17            18            19            20 
      1   0.424640D+01  0.501666D+01 -0.723781D+00 -0.293719D+00  0.429840D+00
      2  -0.142038D+02 -0.710141D+01 -0.816235D+01 -0.183353D+01  0.842981D+00
      3  -0.517251D+00 -0.152497D+01  0.626280D+01  0.253143D+01 -0.501591D+00
                21            22            23            24            25 
      1   0.547908D+00  0.111695D+01 -0.299575D+01 -0.413914D+01  0.321668D+01
      2   0.125165D+01  0.818564D+00 -0.323943D+01 -0.480026D+01  0.568746D+00
      3  -0.282351D+00  0.706035D+00  0.489124D+01  0.267745D+01  0.515569D+00
                26            27            28            29            30 
      1  -0.275101D+01 -0.910982D+01 -0.681544D+00  0.114652D+01 -0.616773D+00
      2  -0.615653D+01 -0.112281D+02  0.159497D+01  0.337116D+00  0.299726D+01
      3   0.751763D+01  0.511710D+01 -0.168967D+01 -0.348850D+01 -0.285380D+00
                31            32            33            34            35 
      1   0.116755D+01  0.764939D+00 -0.101248D+01 -0.110385D+01  0.240557D+01
      2  -0.559129D+00  0.127906D+01  0.420001D+01  0.115817D+01  0.286587D+01
      3  -0.169306D+01 -0.128253D+01 -0.297424D+01  0.301698D-01 -0.319039D+01
                36            37            38            39            40 
      1  -0.127195D+01  0.395287D+01 -0.217049D+01 -0.239253D+01  0.319224D+00
      2   0.120205D+02 -0.112862D+02 -0.377007D+01  0.652991D+01 -0.540019D+01
      3  -0.365178D+01 -0.778528D+01 -0.134374D+02  0.408988D-02 -0.793994D+01
                41            42            43            44            45 
      1   0.687606D+01 -0.670960D+01 -0.119762D+01 -0.277623D+01 -0.702259D+01
      2   0.369802D+00  0.733534D+01  0.148597D+01  0.707922D+01  0.131395D+02
      3   0.164779D+02 -0.382262D+00  0.172620D+01 -0.115637D+01 -0.635549D+01
                46            47            48            49            50 
      1   0.944845D+00 -0.974886D+00 -0.422560D+00 -0.335294D+01 -0.168682D+01
      2  -0.185079D-01 -0.184927D+01 -0.126364D+01 -0.149140D+01  0.604313D+00
      3  -0.774282D+01  0.613350D+01  0.670790D+00  0.156777D+02 -0.351167D-01
                51            52            53            54            55 
      1   0.128523D+01  0.119641D+01  0.105117D+02  0.213311D+01  0.856583D+00
      2   0.985500D+00 -0.129950D+02  0.762374D+00 -0.117926D+00 -0.175543D+01
      3   0.348601D+00 -0.450773D+00  0.225989D+01 -0.115406D+01  0.854442D+00
                56            57            58            59            60 
      1   0.113129D+01  0.961674D+00  0.174073D+00  0.250952D+01  0.197962D+01
      2  -0.206650D-01 -0.246266D+01 -0.239639D+00 -0.272529D+01 -0.571134D+01
      3   0.121077D+01 -0.699759D+00  0.122361D+01  0.113800D+01  0.264612D+01
                61            62            63            64            65 
      1  -0.508969D+00  0.530252D+01  0.942963D+01 -0.195672D+01  0.153062D+01
      2  -0.262432D+01 -0.238062D+01 -0.178275D+02 -0.288196D+00  0.116239D+01
      3  -0.113993D+01  0.424245D+01  0.260016D+01 -0.659125D+01  0.585424D+01
                66            67            68            69            70 
      1   0.169867D+01  0.139697D+01 -0.554134D+01 -0.319980D+01  0.700675D+00
      2  -0.985419D+00  0.126271D+01 -0.252293D+01  0.227722D+01 -0.147321D+01
      3   0.280291D+00  0.812647D+01 -0.203696D+02  0.132546D+01  0.109345D+01
                71            72            73            74            75 
      1   0.511334D+00  0.322555D+00 -0.420969D+00 -0.942051D+00 -0.199584D+01
      2   0.119848D+01 -0.135957D+01  0.717634D+01  0.760795D+00  0.685264D+01
      3   0.628567D+00 -0.228884D+01  0.887875D+01 -0.522137D+01  0.420366D+00
                76            77            78            79            80 
      1  -0.539572D+00 -0.588814D+00 -0.401560D+00 -0.114694D+01  0.748217D+00
      2   0.113305D+01  0.443266D+00 -0.447212D+00  0.199100D+01 -0.433186D+00
      3  -0.384915D+00 -0.183380D+01 -0.204284D+00  0.248539D+00 -0.106561D+01
                81            82            83            84            85 
      1   0.563211D-01 -0.128137D+01 -0.946449D-01  0.298246D+01 -0.919295D+00
      2   0.502511D+00  0.247639D+01 -0.141806D+00 -0.991043D+00  0.333558D+01
      3   0.152198D+01  0.663598D+01 -0.553586D+00  0.179562D+01  0.600456D+01
                86            87            88            89            90 
      1  -0.148904D-01 -0.244861D+01  0.541264D+01  0.236413D+01  0.150261D+00
      2   0.117454D+01  0.564799D+00 -0.125099D+02  0.189816D+00 -0.354487D+00
      3  -0.566710D+01  0.261596D+00  0.184194D+01 -0.441976D+00 -0.512505D+01
                91            92            93            94            95 
      1   0.130543D+01  0.565967D+00 -0.191639D+01  0.879873D+00  0.359463D-01
      2  -0.140398D+00  0.121470D+01 -0.507635D-01  0.925999D+00 -0.276888D+01
      3  -0.326516D+01 -0.997165D+01 -0.202565D+01  0.533029D+01 -0.230869D+01
                96            97            98            99           100 
      1  -0.289265D+01 -0.547451D+01  0.175817D+01 -0.115331D+01  0.137813D+00
      2   0.592789D+01 -0.750678D+01  0.959468D+01  0.343507D+01 -0.285898D+00
      3   0.171931D+01 -0.208886D+00  0.109106D+01 -0.516515D+01  0.607215D+00
               101           102           103           104           105 
      1  -0.865295D+00 -0.602576D+00 -0.113729D+01 -0.276537D+01  0.240703D+01
      2  -0.170299D+00  0.807150D+01 -0.348756D+01 -0.152863D+00 -0.625811D+00
      3  -0.725710D+01  0.210128D+00  0.114031D+02  0.340926D+01  0.186018D+01
               106           107           108           109           110 
      1  -0.901446D+00  0.111421D+02  0.239977D+01 -0.123498D+01 -0.191250D+00
      2   0.819597D+01  0.412291D+00  0.273446D+01 -0.562080D+00  0.245480D+01
      3   0.334934D+01  0.137799D+01  0.101280D+01 -0.188726D+01 -0.131332D+02
               111           112           113           114           115 
      1   0.279381D+01 -0.141568D+01  0.384799D+00 -0.240452D+01  0.661319D+01
      2   0.195611D+01 -0.814780D+00  0.303848D+01 -0.555999D+01 -0.549263D+01
      3  -0.228820D+01  0.447138D+01 -0.114094D+01 -0.208208D+01 -0.225557D+00
               116           117           118           119           120 
      1   0.276281D+01  0.107387D+01  0.266627D+00  0.105016D+01 -0.251405D+01
      2  -0.100309D+02 -0.361126D+01  0.329108D+01  0.152263D+01 -0.111671D+01
      3  -0.442737D+01  0.391201D+01  0.452650D+00 -0.111713D+01 -0.191342D+01
               121           122           123           124           125 
      1   0.135777D+01 -0.824709D+00 -0.243273D+01 -0.553865D+01  0.215958D+01
      2   0.128629D+01 -0.150013D+01 -0.134783D+01 -0.131622D+02 -0.107132D+01
      3   0.433707D+00  0.784905D+01  0.132566D+00 -0.434976D+01 -0.889427D-02
               126           127           128           129           130 
      1  -0.744730D+00  0.420661D+00 -0.412093D+00  0.169070D+01  0.304996D+00
      2  -0.254496D+01  0.127957D+01 -0.333841D+00  0.122450D+00 -0.457111D+00
      3   0.572282D+01 -0.954860D+01  0.384548D+01 -0.239752D-01  0.778465D+01
               131           132           133           134           135 
      1  -0.309290D-01 -0.357053D+01 -0.530217D+00  0.192979D+01  0.233669D+00
      2   0.924415D+00 -0.799390D+00 -0.165751D+01  0.422568D+00 -0.929309D-01
      3  -0.642404D+01 -0.808742D+00 -0.639567D+00  0.911075D-01  0.316670D-01
               136           137           138           139           140 
      1  -0.204986D+00  0.249738D-01 -0.205246D+01 -0.876297D-01  0.552146D+00
      2   0.541792D+00  0.871665D+00  0.222628D+01  0.635120D+00  0.252472D+01
      3  -0.103069D+01 -0.349934D+01 -0.568822D+00 -0.176535D+01 -0.129679D+02
               141           142           143           144           145 
      1  -0.424934D+01  0.610670D+00  0.200240D+01 -0.558384D+00 -0.871770D-01
      2   0.365987D+01 -0.593693D+00 -0.118971D+00  0.647195D+00  0.183386D+01
      3  -0.217275D+01 -0.365069D+00 -0.248675D+01 -0.328106D+00  0.169408D+00
               146           147           148           149           150 
      1   0.457817D+00 -0.216161D+00  0.219840D+00 -0.250997D-01 -0.346531D+00
      2  -0.128436D+00  0.676924D+01  0.120796D+01  0.326548D+00  0.395956D+00
      3  -0.558222D+01  0.203711D+00 -0.357765D+01 -0.260976D+00 -0.381132D+00
               151           152           153           154           155 
      1   0.413364D-01  0.579857D+00  0.111338D-01  0.251021D+00 -0.611200D+00
      2  -0.266153D+01  0.507675D-01  0.620248D+00  0.299185D+00 -0.336521D+00
      3  -0.121852D+01 -0.590728D+00 -0.245103D+00  0.114472D+01 -0.468318D+01
               156           157           158           159           160 
      1   0.220029D+01  0.230937D+00  0.215629D+00 -0.386428D+01 -0.791502D+00
      2   0.247924D+01  0.413056D+00 -0.907681D+00 -0.343051D+01 -0.775399D+00
      3  -0.393328D-01 -0.272308D+01  0.119622D+02  0.962452D+00 -0.693345D+00
               161           162           163           164           165 
      1   0.163904D+01 -0.298885D+00  0.645986D+00  0.344405D+00 -0.174673D+01
      2   0.514000D+00 -0.328815D+00 -0.161744D+01 -0.955589D+00  0.206709D+00
      3   0.187951D+01  0.262475D+00  0.765042D+01  0.406998D+01  0.729853D+00
               166           167           168           169           170 
      1   0.618489D+00  0.983377D+00 -0.391293D+01  0.365973D+00  0.238168D+01
      2  -0.169869D+01 -0.162263D+01  0.408672D+00 -0.198981D+01 -0.578882D+00
      3   0.790204D+01  0.771688D+01  0.179993D+01  0.162029D+01  0.222700D+01
               171 
      1  -0.545389D+00
      2   0.161627D+00
      3   0.304906D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.205914D+02 -0.404075D+01  0.253898D+01 -0.782076D+01  0.180343D+01
      2  -0.863124D+01 -0.130895D+01 -0.858200D+00  0.477898D-01  0.913168D+01
      3  -0.119601D+02  0.534970D+01 -0.168078D+01  0.777297D+01 -0.109351D+02
      4  -0.155531D+02  0.182396D+02 -0.609856D+01  0.214678D+02 -0.177652D+02
      5   0.493913D+01 -0.554876D+01  0.850618D+01 -0.920506D+01  0.116501D+02
      6  -0.272513D+01  0.219361D+01 -0.278674D+01  0.383727D+01 -0.913781D+01
                 6             7             8             9            10 
      1   0.536978D+00  0.416504D+01  0.236524D+01  0.144416D+01  0.931501D+01
      2  -0.280380D+01 -0.266606D+01 -0.473293D+01 -0.701863D+01 -0.243661D+01
      3   0.226682D+01 -0.149899D+01  0.236769D+01  0.557447D+01 -0.687840D+01
      4   0.118547D+02 -0.986905D+01  0.143815D+02  0.332015D+01 -0.680987D+01
      5   0.497780D+01  0.733705D+01  0.304717D+01  0.232297D+02 -0.663355D+00
      6   0.406519D+01  0.112746D+01  0.438088D+00 -0.133606D+02  0.149638D+01
                11            12            13            14            15 
      1   0.150732D+01 -0.204221D+01  0.492008D+01 -0.709787D+01  0.398787D+01
      2   0.120613D+01  0.981614D+00  0.304438D+01  0.355117D+01 -0.864559D+00
      3  -0.271345D+01  0.106060D+01 -0.796446D+01  0.354670D+01 -0.312331D+01
      4  -0.154678D+02  0.399947D+01 -0.258950D+02  0.361246D+01 -0.331208D+01
      5   0.450247D+01 -0.111356D+02  0.102003D+02 -0.326768D+01 -0.158649D+02
      6   0.241755D+01 -0.200996D+01  0.112936D+01  0.526903D+01 -0.930301D+01
                16            17            18            19            20 
      1   0.130928D+02  0.406808D+01 -0.430787D+00  0.334327D+01 -0.320904D+01
      2   0.123793D+01  0.347793D+01  0.823331D+01 -0.155170D+01  0.920607D+00
      3  -0.143307D+02 -0.754600D+01 -0.780253D+01 -0.179156D+01  0.228843D+01
      4   0.104220D+02  0.382931D+01 -0.173341D+02 -0.406719D+01  0.238229D+01
      5  -0.197219D+02 -0.159652D+02 -0.214004D+02 -0.182837D+01  0.186582D+01
      6  -0.104411D+02 -0.386580D+01 -0.440154D+01  0.118627D+01 -0.164092D+00
                21            22            23            24            25 
      1  -0.209571D+01 -0.441720D+01 -0.308277D+01 -0.125839D+01 -0.582425D+01
      2   0.259015D+00  0.707420D+00  0.582353D+01  0.292289D+01  0.274151D+01
      3   0.183669D+01  0.370978D+01 -0.274076D+01 -0.166451D+01  0.308274D+01
      4   0.239172D+01  0.645684D+01 -0.111212D+02 -0.573804D+01  0.814942D+01
      5   0.262748D+01  0.285371D+01 -0.526205D+01 -0.832713D+01  0.739391D+01
      6  -0.773029D+00 -0.168443D+01  0.460811D+01  0.721266D+01 -0.402174D+01
                26            27            28            29            30 
      1  -0.128510D+01 -0.279644D+01  0.488959D+01  0.117691D+01  0.405027D+01
      2   0.358699D+01  0.179722D+01 -0.616889D+01 -0.112037D+01 -0.440821D+01
      3  -0.230190D+01  0.999224D+00  0.127930D+01 -0.565449D-01  0.357941D+00
      4  -0.141013D+02 -0.106990D+02  0.432479D+01  0.647854D+01  0.211445D+01
      5  -0.103283D+02 -0.203602D+02  0.937501D+01  0.211031D+01  0.124735D+02
      6   0.865084D+01  0.128032D+02  0.250502D+01  0.158381D+00  0.167783D+01
                31            32            33            34            35 
      1   0.133551D+01 -0.241174D+01 -0.329853D+01  0.273324D+01 -0.296502D+01
      2  -0.262479D+01 -0.474523D-01 -0.430472D+00 -0.827318D+01 -0.216881D+01
      3   0.128928D+01  0.245919D+01  0.372900D+01  0.553994D+01  0.513383D+01
      4   0.962592D+01  0.576463D+01  0.648728D+01  0.357639D+01  0.716688D+01
      5   0.350401D+01  0.612564D+01  0.997081D+01  0.182578D+02  0.810986D+01
      6   0.248919D+01  0.476325D+01  0.905579D+01  0.500727D+01  0.668848D+01
                36            37            38            39            40 
      1  -0.106419D+02 -0.540865D+02 -0.153657D+02 -0.117819D+01 -0.684225D+01
      2  -0.140624D+02  0.226245D+02  0.142220D+02  0.355548D+01  0.592045D+01
      3   0.247043D+02  0.314619D+02  0.114375D+01 -0.237729D+01  0.921792D+00
      4   0.842075D+01 -0.163284D+02  0.126016D+02 -0.461679D+01  0.174513D+02
      5   0.314914D+02 -0.248525D+01 -0.228663D+01  0.104429D+02 -0.766255D+01
      6   0.103712D+02 -0.434340D+01 -0.607925D+01  0.396979D+01 -0.570234D+01
                41            42            43            44            45 
      1   0.197240D+02  0.243555D+01 -0.120706D+02 -0.497369D-01  0.119832D+02
      2  -0.211260D+02  0.619909D+01  0.572135D+01  0.360486D+01  0.782835D+01
      3   0.140201D+01 -0.863463D+01  0.634922D+01 -0.355512D+01 -0.198116D+02
      4  -0.814893D+01 -0.213361D+01 -0.146196D+02 -0.371479D+01  0.181677D+02
      5  -0.525752D+01  0.146409D+02  0.140029D+02  0.150166D+02  0.177329D+02
      6  -0.544998D+00  0.640031D+01  0.782270D+01  0.622115D+01 -0.143883D+01
                46            47            48            49            50 
      1  -0.182746D+02  0.157522D-01  0.294246D+00  0.555943D+00 -0.651453D+01
      2   0.550406D+01 -0.220758D+00 -0.448838D+00 -0.157201D+01  0.124058D+02
      3   0.127705D+02  0.205005D+00  0.154592D+00  0.101607D+01 -0.589126D+01
      4   0.117442D+02  0.428061D+01  0.582753D+00 -0.947236D+01 -0.208283D+01
      5  -0.393291D+00  0.911320D-01  0.273263D+00 -0.345060D+01 -0.533607D+00
      6  -0.925476D+00  0.721451D-01 -0.316957D+00 -0.191493D+01  0.265553D+01
                51            52            53            54            55 
      1  -0.148009D-01 -0.737483D+01 -0.885645D+00 -0.916646D+01  0.382353D+01
      2   0.407736D+01  0.134835D+01  0.135432D+01 -0.351644D+01 -0.373386D+01
      3  -0.406256D+01  0.602648D+01 -0.468671D+00  0.126829D+02 -0.896693D-01
      4  -0.115686D+01 -0.293481D+01 -0.203708D+01  0.293431D+01  0.586847D+00
      5   0.197438D+01  0.392949D+01  0.230354D+01  0.254017D+00 -0.205777D+01
      6  -0.267020D+01 -0.112105D+01  0.585837D+01 -0.243421D+01  0.267315D+00
                56            57            58            59            60 
      1   0.948028D+00 -0.590885D+01 -0.264333D+01 -0.438835D+01 -0.252293D+01
      2  -0.136250D+01  0.405219D+00  0.233242D+01  0.110299D+01 -0.554066D+01
      3   0.414474D+00  0.550363D+01  0.310909D+00  0.328536D+01  0.806359D+01
      4  -0.220806D+01 -0.348613D+00 -0.101727D+00 -0.353825D+01 -0.500240D+01
      5   0.895635D+00 -0.176459D+00  0.441413D+01 -0.375714D+01 -0.103553D+02
      6   0.182891D+01 -0.106457D+01 -0.144509D+00  0.230128D+01  0.338372D+01
                61            62            63            64            65 
      1  -0.643139D+01 -0.662327D+00 -0.161116D+02 -0.154691D+01  0.888779D+01
      2   0.479251D+01 -0.416262D+01 -0.170097D+02  0.398770D+01 -0.973763D+01
      3   0.163888D+01  0.482495D+01  0.331213D+02 -0.244078D+01  0.849840D+00
      4  -0.235491D+01 -0.795518D+01 -0.538292D+01  0.688546D+00 -0.318524D+01
      5   0.875856D+01 -0.304223D+01 -0.305577D+02  0.194136D+01 -0.260662D+00
      6   0.719667D+00  0.460923D+01 -0.709249D+01  0.133375D+00  0.289110D+01
                66            67            68            69            70 
      1  -0.927674D+00  0.971516D+01 -0.241717D+02  0.229520D+01  0.158467D+01
      2  -0.140265D+00 -0.651469D+01  0.367345D+02 -0.122794D+01 -0.830751D+00
      3   0.106794D+01 -0.320047D+01 -0.125628D+02 -0.106726D+01 -0.753916D+00
      4   0.127612D+01  0.495923D+01  0.288523D+02 -0.273619D+01  0.214313D+01
      5  -0.214210D+01 -0.334313D+01 -0.607453D+00  0.455530D+01  0.527658D+00
      6  -0.262663D+01  0.518684D+00 -0.985910D+01  0.669702D+01 -0.132402D+01
                71            72            73            74            75 
      1   0.159036D+01 -0.513492D+01  0.826991D+02  0.104200D+02  0.189240D+01
      2  -0.380795D+00  0.236345D+01 -0.396145D+02 -0.210403D+01  0.961433D+00
      3  -0.120957D+01  0.277146D+01 -0.430846D+02 -0.831602D+01 -0.285383D+01
      4  -0.436216D+00  0.138580D+01  0.310130D+02  0.160868D+02 -0.141613D+00
      5   0.197482D+01 -0.210040D+01 -0.100771D+02 -0.182584D+01  0.114928D+02
      6   0.614740D+01 -0.103737D+01 -0.543884D+00 -0.170338D+01  0.367288D+01
                76            77            78            79            80 
      1   0.179462D+01  0.454251D+01  0.209570D+00  0.105213D+02  0.975320D+00
      2   0.144923D+01  0.562024D+00 -0.569434D+00 -0.439050D+01 -0.668234D-01
      3  -0.324384D+01 -0.510453D+01  0.359864D+00 -0.613084D+01 -0.908497D+00
      4   0.118265D+02  0.657067D+01  0.409023D+00  0.450636D+01  0.326396D+01
      5   0.441973D+00 -0.197950D+00 -0.672464D+00  0.928211D+01  0.297887D+00
      6  -0.775531D+00 -0.678724D+00  0.977173D+00  0.277100D+01  0.872338D+00
                81            82            83            84            85 
      1   0.541542D+01  0.558096D+01  0.151085D+02  0.505690D+01 -0.170039D+01
      2  -0.490444D+01 -0.550140D+01 -0.101355D+02 -0.117550D+01  0.104923D+02
      3  -0.510978D+00 -0.795625D-01 -0.497305D+01 -0.388140D+01 -0.879192D+01
      4   0.103756D+01  0.652435D+01 -0.112331D+02  0.233100D+00  0.308042D+01
      5   0.506783D+00  0.194565D+01 -0.525730D-01 -0.113033D+01  0.194991D+01
      6   0.585587D+00  0.306287D+01 -0.287503D+01 -0.606992D+01  0.491196D+01
                86            87            88            89            90 
      1   0.241211D+01  0.225542D+01  0.181242D+00  0.412469D+01 -0.147811D+02
      2  -0.722637D+01 -0.198677D+01  0.251386D+01 -0.583507D+01  0.249202D+01
      3   0.481426D+01 -0.268646D+00 -0.269510D+01  0.171037D+01  0.122891D+02
      4   0.146131D+02  0.187934D+01  0.502102D+00 -0.196949D+01  0.320415D+01
      5   0.168291D+01  0.946145D-01  0.398641D+01  0.338760D+01 -0.168689D+01
      6  -0.302355D+01  0.607297D+01 -0.292796D+01  0.138881D+02 -0.106107D-01
                91            92            93            94            95 
      1   0.336868D+01 -0.212304D+02 -0.205018D+01  0.245037D+02  0.102102D+02
      2  -0.282137D+01  0.136788D+02  0.799504D+00 -0.234703D+02 -0.140418D+02
      3  -0.547309D+00  0.755158D+01  0.125067D+01 -0.103342D+01  0.383162D+01
      4  -0.118277D+02 -0.554836D+01 -0.497097D+01  0.714127D+01 -0.451310D+01
      5  -0.408969D+01 -0.463317D+01 -0.217765D+01 -0.768682D+00 -0.574954D+01
      6  -0.529762D+01 -0.235159D+01  0.470298D+01 -0.484907D+01 -0.882637D+01
                96            97            98            99           100 
      1   0.192251D+01  0.233636D+01 -0.314064D+01 -0.514988D+01 -0.101877D+02
      2  -0.571942D+01 -0.608145D+01 -0.456955D+01 -0.520488D+01  0.606771D+01
      3   0.379691D+01  0.374509D+01  0.771019D+01  0.103548D+02  0.411999D+01
      4  -0.561366D+01 -0.526391D+01 -0.926080D+01  0.145854D+02 -0.147804D+01
      5   0.124537D+02  0.140350D+02  0.149612D+02  0.726197D+01 -0.857694D+01
      6   0.519275D+01  0.579795D+01  0.144490D+02  0.344815D+01  0.601436D+00
               101           102           103           104           105 
      1  -0.675057D+00 -0.726828D+01  0.393670D+01 -0.208220D+02 -0.611956D+01
      2   0.552418D+00  0.395715D+01 -0.220303D+01  0.187925D+02  0.879226D+01
      3   0.122639D+00  0.331112D+01 -0.173367D+01  0.202957D+01 -0.267270D+01
      4   0.229194D+02  0.499070D+00 -0.205581D+02 -0.641427D+01 -0.342923D+01
      5   0.421433D+00  0.179565D+02 -0.995669D+01 -0.243491D+01 -0.137917D+01
      6   0.732699D+00  0.134953D+01 -0.280687D+01  0.363719D+01 -0.497508D+01
               106           107           108           109           110 
      1  -0.941719D+01 -0.653517D+01  0.138730D+02  0.321293D+01  0.220136D+02
      2   0.337772D+01  0.516261D+01 -0.179013D+02 -0.521196D+01 -0.130270D+02
      3   0.603947D+01  0.137257D+01  0.402834D+01  0.199903D+01 -0.898656D+01
      4  -0.107869D+02  0.760587D+00 -0.763885D+00  0.181196D+02  0.226489D+01
      5   0.348883D+02  0.152781D+00  0.602929D+01  0.102036D+00  0.428232D+01
      6   0.132291D+00  0.577366D+01 -0.389166D+01  0.262133D+01 -0.258687D+01
               111           112           113           114           115 
      1   0.491433D+01 -0.242162D+02  0.636248D+01  0.141313D+01 -0.744629D+01
      2   0.235262D+00  0.241331D+02 -0.111795D+02 -0.130038D+01  0.821438D+01
      3  -0.514959D+01  0.831031D-01  0.481700D+01 -0.112748D+00 -0.768093D+00
      4   0.484378D+01  0.583446D+01  0.121702D+02  0.813742D+01  0.242097D+01
      5   0.424483D+01 -0.310011D+01  0.727246D+01 -0.116143D+02  0.183015D+02
      6  -0.649905D+01  0.618450D+01 -0.528922D+01  0.596462D+01 -0.707380D+01
               116           117           118           119           120 
      1   0.634683D+01  0.402132D+00  0.677590D+01 -0.130249D+02  0.184821D+00
      2  -0.846171D+01 -0.684895D+01 -0.568673D+01  0.997741D+01 -0.163516D+01
      3   0.211488D+01  0.644681D+01 -0.108918D+01  0.304749D+01  0.145033D+01
      4   0.687461D+01 -0.148024D+02 -0.104152D+02 -0.174559D+02 -0.391385D+01
      5  -0.147095D+02 -0.749574D+01 -0.485750D-01 -0.373972D+01 -0.424892D+01
      6   0.134743D+02 -0.532183D+00 -0.304786D+01 -0.254356D+01  0.545969D+01
               121           122           123           124           125 
      1   0.244904D+01  0.734430D+01  0.476122D+01  0.180438D+01  0.149237D+01
      2  -0.921561D+01 -0.102804D+02 -0.577446D+01 -0.399474D+01 -0.686162D+01
      3   0.676657D+01  0.293610D+01  0.101323D+01  0.219036D+01  0.536925D+01
      4   0.107820D+02 -0.130672D+02 -0.170028D+01 -0.182689D-01 -0.436324D+01
      5   0.290442D+00 -0.183891D+01 -0.106226D+01  0.164261D+00 -0.514125D+01
      6  -0.469675D+01 -0.897155D+01  0.302626D+01  0.351658D+01  0.118798D+02
               126           127           128           129           130 
      1  -0.152328D+02 -0.405455D+01  0.788739D+01  0.202903D+00  0.820946D+01
      2   0.586639D+00  0.615344D+01 -0.110314D+02 -0.337598D+00 -0.111526D+02
      3   0.146461D+02 -0.209890D+01  0.314405D+01  0.134695D+00  0.294315D+01
      4  -0.598077D+01 -0.755709D+01  0.719403D+01  0.626216D+00  0.748917D+01
      5  -0.547051D+01 -0.516897D+00  0.864373D+00  0.820503D+00  0.924016D+00
      6   0.416119D+01 -0.145526D+00 -0.277705D-01 -0.191784D+01 -0.978808D+00
               131           132           133           134           135 
      1  -0.250065D+02 -0.192092D+01  0.466229D+00 -0.156911D+01 -0.778189D+00
      2   0.340663D+02  0.149911D+01 -0.859639D+00  0.219763D+01  0.139904D+01
      3  -0.905973D+01  0.421812D+00  0.393410D+00 -0.628522D+00 -0.620854D+00
      4  -0.682572D+01 -0.494364D+00  0.966150D-01 -0.195655D-01 -0.130835D+01
      5  -0.963193D+00 -0.921458D+00  0.554970D+00 -0.612864D+00 -0.441315D-01
      6   0.236736D+01  0.574464D+01 -0.459237D+00  0.173390D+01  0.284663D+00
               136           137           138           139           140 
      1   0.878400D+01  0.646772D+01  0.117134D+01  0.174456D+01 -0.100924D+02
      2   0.168752D+01  0.441643D+01  0.148517D-01  0.999079D+01  0.310473D+02
      3  -0.104715D+02 -0.108842D+02 -0.118619D+01 -0.117353D+02 -0.209549D+02
      4   0.222454D+02  0.255155D+02  0.516440D+01  0.273857D+02  0.468459D+02
      5   0.479689D+01  0.505874D+01  0.549991D+01  0.518954D+01  0.801385D+01
      6   0.351939D+01  0.402332D+01  0.339466D+01  0.493868D+01  0.103489D+02
               141           142           143           144           145 
      1  -0.209373D+01  0.119394D+01 -0.118463D+01 -0.897121D+00  0.990462D+02
      2   0.357955D+01  0.132947D+01  0.490109D+01  0.184672D+01 -0.570233D+02
      3  -0.148582D+01 -0.252341D+01 -0.371646D+01 -0.949600D+00 -0.420229D+02
      4   0.836685D+01  0.669854D+01  0.101245D+02  0.337508D+01  0.345057D+01
      5   0.640335D+01  0.247248D+01  0.278456D+01  0.218956D+01  0.125491D+02
      6   0.846851D+01  0.207572D+01  0.398006D+01  0.276606D+01 -0.199644D+01
               146           147           148           149           150 
      1   0.278105D+01  0.812804D+01  0.154445D+01  0.908830D+01  0.128647D+01
      2  -0.136440D+01 -0.574728D+01 -0.738275D+00 -0.443593D+01 -0.118901D+01
      3  -0.141665D+01 -0.238076D+01 -0.806172D+00 -0.465236D+01 -0.974544D-01
      4   0.926324D+01  0.222216D-01  0.146169D+02  0.109743D+01  0.134474D+01
      5   0.104796D+00  0.118029D+02  0.260377D+01  0.144543D+01  0.699458D+00
      6   0.625631D+00 -0.173942D-01  0.103769D+01 -0.162710D+00  0.167033D+01
               151           152           153           154           155 
      1   0.109564D+02  0.152279D+01  0.339142D+01  0.155880D+02 -0.999052D+01
      2  -0.652209D+01 -0.987228D+00 -0.219507D+01 -0.663094D+00 -0.363788D+01
      3  -0.443426D+01 -0.535566D+00 -0.119635D+01 -0.149249D+02  0.136284D+02
      4   0.269102D+01  0.125051D+01  0.563398D+00 -0.285389D+02  0.293159D+02
      5   0.329125D+01  0.388683D+00  0.218832D+01 -0.340632D+01  0.246075D+01
      6   0.515379D-01  0.715833D+00  0.363083D+00  0.104558D+01 -0.863843D+00
               156           157           158           159           160 
      1  -0.130330D+01 -0.616182D+01 -0.189892D+01 -0.985657D-02  0.424666D+00
      2   0.346552D+00 -0.843668D+01  0.234949D+02  0.106212D+01 -0.144075D+01
      3   0.956746D+00  0.145985D+02 -0.215960D+02 -0.105226D+01  0.101609D+01
      4   0.230203D+01  0.322020D+02 -0.468360D+02 -0.527057D+01  0.296416D+01
      5   0.530813D+01  0.441471D+01 -0.581042D+01 -0.591238D+01  0.195154D+01
      6  -0.301559D+01 -0.276408D+01  0.431552D+01  0.654970D+01 -0.138164D+01
               161           162           163           164           165 
      1  -0.125893D+01 -0.520722D+00 -0.472134D+01 -0.763399D+01 -0.300544D+01
      2   0.307751D+01  0.129672D+01  0.594615D+01  0.905479D+01  0.190777D+01
      3  -0.181858D+01 -0.776002D+00 -0.122482D+01 -0.142080D+01  0.109768D+01
      4  -0.492589D+01 -0.254930D+01  0.541093D+01  0.701527D+01  0.127326D+01
      5  -0.168171D+01 -0.824143D+00  0.485174D+00  0.927782D+00  0.165246D+01
      6   0.240107D+01  0.135947D+01  0.258639D+01  0.425204D+01  0.287031D+01
               166           167           168           169           170 
      1  -0.792919D+01 -0.283065D+02 -0.735732D+01 -0.222292D+01 -0.644151D+01
      2   0.985388D+01  0.362369D+02  0.625877D+01  0.245488D+01  0.737210D+01
      3  -0.192469D+01 -0.793041D+01  0.109855D+01 -0.231958D+00 -0.930589D+00
      4   0.631784D+01  0.231876D+01  0.987248D-01  0.167677D+01  0.113174D+01
      5   0.700300D+00 -0.510076D+00  0.339070D+00  0.119701D+01  0.589145D+00
      6   0.326079D+01  0.114661D+02  0.855704D+01  0.126121D+01  0.454329D+01
               171 
      1  -0.292777D+01
      2   0.275818D+01
      3   0.169588D+00
      4   0.182645D+01
      5   0.104694D+01
      6   0.329511D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:45:15 2021, MaxMem=  5637144576 cpu:           11090.0 elap:            1389.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.91347 -10.08501 -10.03974 -10.03305 -10.03216
 Alpha  occ. eigenvalues --  -10.03194 -10.03034 -10.02898 -10.02376  -1.09938
 Alpha  occ. eigenvalues --   -0.94454  -0.86593  -0.83234  -0.81290  -0.73000
 Alpha  occ. eigenvalues --   -0.69323  -0.67502  -0.62160  -0.57123  -0.56533
 Alpha  occ. eigenvalues --   -0.53405  -0.52742  -0.52120  -0.50520  -0.48529
 Alpha  occ. eigenvalues --   -0.46508  -0.45775  -0.43688  -0.42085  -0.41260
 Alpha  occ. eigenvalues --   -0.36483  -0.34480  -0.33480
 Alpha virt. eigenvalues --    0.02851   0.03600   0.03713   0.04408   0.04816
 Alpha virt. eigenvalues --    0.05091   0.05420   0.05656   0.06646   0.07198
 Alpha virt. eigenvalues --    0.07538   0.09269   0.10766   0.11234   0.12063
 Alpha virt. eigenvalues --    0.12469   0.12869   0.13434   0.13657   0.14297
 Alpha virt. eigenvalues --    0.14511   0.14747   0.15128   0.15629   0.16151
 Alpha virt. eigenvalues --    0.16430   0.16896   0.17068   0.17359   0.18335
 Alpha virt. eigenvalues --    0.18581   0.19493   0.20005   0.20382   0.20941
 Alpha virt. eigenvalues --    0.21457   0.22755   0.23706   0.24775   0.25458
 Alpha virt. eigenvalues --    0.25832   0.26216   0.26778   0.27559   0.28481
 Alpha virt. eigenvalues --    0.29021   0.29392   0.29995   0.30618   0.30930
 Alpha virt. eigenvalues --    0.31002   0.32065   0.32475   0.32948   0.33215
 Alpha virt. eigenvalues --    0.33506   0.34397   0.34612   0.36234   0.36729
 Alpha virt. eigenvalues --    0.37484   0.38048   0.38588   0.38704   0.39722
 Alpha virt. eigenvalues --    0.39892   0.41693   0.42235   0.43143   0.44092
 Alpha virt. eigenvalues --    0.44634   0.45027   0.45862   0.47502   0.47807
 Alpha virt. eigenvalues --    0.48677   0.49051   0.50338   0.50929   0.51338
 Alpha virt. eigenvalues --    0.52933   0.53127   0.53748   0.54563   0.55878
 Alpha virt. eigenvalues --    0.56322   0.57389   0.57474   0.58230   0.59411
 Alpha virt. eigenvalues --    0.60093   0.60254   0.61287   0.61620   0.61858
 Alpha virt. eigenvalues --    0.62738   0.63728   0.64078   0.64529   0.65609
 Alpha virt. eigenvalues --    0.65909   0.66268   0.66806   0.68349   0.68646
 Alpha virt. eigenvalues --    0.69233   0.70054   0.70903   0.71538   0.72065
 Alpha virt. eigenvalues --    0.72312   0.72723   0.73716   0.74219   0.76378
 Alpha virt. eigenvalues --    0.76727   0.78380   0.79274   0.80195   0.80541
 Alpha virt. eigenvalues --    0.82084   0.82542   0.82966   0.84651   0.84661
 Alpha virt. eigenvalues --    0.84781   0.86053   0.86831   0.87683   0.88086
 Alpha virt. eigenvalues --    0.88974   0.90267   0.90404   0.90868   0.93044
 Alpha virt. eigenvalues --    0.96346   0.97953   0.98075   1.01047   1.01699
 Alpha virt. eigenvalues --    1.02306   1.03448   1.03735   1.06137   1.07050
 Alpha virt. eigenvalues --    1.08817   1.10269   1.13411   1.15301   1.16396
 Alpha virt. eigenvalues --    1.16985   1.22375   1.23647   1.26447   1.27584
 Alpha virt. eigenvalues --    1.29146   1.33829   1.36212   1.37228   1.37804
 Alpha virt. eigenvalues --    1.39204   1.40809   1.41767   1.44079   1.45052
 Alpha virt. eigenvalues --    1.45816   1.47562   1.48814   1.49573   1.51318
 Alpha virt. eigenvalues --    1.51768   1.52674   1.54922   1.56160   1.56746
 Alpha virt. eigenvalues --    1.57565   1.58421   1.59301   1.61069   1.61536
 Alpha virt. eigenvalues --    1.63235   1.66363   1.67565   1.68840   1.70695
 Alpha virt. eigenvalues --    1.71178   1.72776   1.73644   1.73953   1.75825
 Alpha virt. eigenvalues --    1.77299   1.77570   1.79323   1.79752   1.81891
 Alpha virt. eigenvalues --    1.83990   1.84186   1.85940   1.87273   1.90115
 Alpha virt. eigenvalues --    1.91100   1.92036   1.93823   1.94246   1.95506
 Alpha virt. eigenvalues --    1.98663   1.99020   2.01340   2.01654   2.03427
 Alpha virt. eigenvalues --    2.04354   2.04755   2.07662   2.10036   2.10752
 Alpha virt. eigenvalues --    2.11904   2.14599   2.15577   2.16107   2.17489
 Alpha virt. eigenvalues --    2.19082   2.22787   2.23102   2.24535   2.25682
 Alpha virt. eigenvalues --    2.27616   2.31205   2.32776   2.36447   2.39313
 Alpha virt. eigenvalues --    2.41106   2.46500   2.48875   2.52415   2.53705
 Alpha virt. eigenvalues --    2.56721   2.58149   2.59219   2.61650   2.62323
 Alpha virt. eigenvalues --    2.67247   2.71054   2.76143   2.77277   2.79323
 Alpha virt. eigenvalues --    2.81850   2.87242   2.88375   2.89731   2.93704
 Alpha virt. eigenvalues --    3.02416   3.06046   3.10682   3.14101   3.28555
 Alpha virt. eigenvalues --    3.41040   3.48131   3.50998   3.56014   3.59401
 Alpha virt. eigenvalues --    3.61968   3.74866   4.01635   4.55069
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.440854  -0.034491   0.301637  -0.094431  -0.007255  -0.032567
     2  C   -0.034491   8.435350  -0.040314  -0.440326   0.554209   0.313410
     3  H    0.301637  -0.040314   0.653502   0.025539  -0.055253  -0.000708
     4  H   -0.094431  -0.440326   0.025539   1.816913  -0.107830   0.061112
     5  C   -0.007255   0.554209  -0.055253  -0.107830   4.372632   0.057986
     6  C   -0.032567   0.313410  -0.000708   0.061112   0.057986  17.722282
     7  H    0.004853  -0.186250  -0.011144   0.085898   0.316416  -0.132152
     8  H    0.014195   0.325805   0.012250  -0.065743   0.230820  -0.175104
     9  H   -0.002092   0.015194  -0.002765  -0.057842   0.191441   0.203601
    10  C    0.134111  -1.249771  -0.041382   0.024829  -0.172527  -7.313742
    11  C   -0.132586   0.014823   0.022707  -0.000655   0.120059   3.617714
    12  C    0.017285  -0.008191  -0.009041   0.011118  -0.081251  -4.580246
    13  C   -0.030519  -0.221330   0.006900   0.012130   0.110599   2.902350
    14  C   -0.018843  -2.075216  -0.006296   0.076363  -0.401796  -8.716761
    15  H   -0.151718   0.278597   0.017795   0.023030   0.021834   0.671833
    16  H    0.002168   0.020188   0.000354  -0.000529   0.000940  -0.327928
    17  H    0.000767  -0.016046   0.000005   0.000756  -0.000024   0.129596
    18  H   -0.000948   0.025241   0.000035   0.000822  -0.002789  -0.439293
    19  H    0.002765  -0.145379  -0.000090   0.001807   0.068130   0.602853
               7          8          9         10         11         12
     1  O    0.004853   0.014195  -0.002092   0.134111  -0.132586   0.017285
     2  C   -0.186250   0.325805   0.015194  -1.249771   0.014823  -0.008191
     3  H   -0.011144   0.012250  -0.002765  -0.041382   0.022707  -0.009041
     4  H    0.085898  -0.065743  -0.057842   0.024829  -0.000655   0.011118
     5  C    0.316416   0.230820   0.191441  -0.172527   0.120059  -0.081251
     6  C   -0.132152  -0.175104   0.203601  -7.313742   3.617714  -4.580246
     7  H    1.610024  -0.268283  -0.358904   0.133069  -0.004858   0.014158
     8  H   -0.268283   1.701754  -0.273960   0.047711   0.033496  -0.018844
     9  H   -0.358904  -0.273960   1.545007  -0.139391  -0.006166  -0.004288
    10  C    0.133069   0.047711  -0.139391  20.839764  -7.193060   4.443959
    11  C   -0.004858   0.033496  -0.006166  -7.193060  15.044789  -4.914526
    12  C    0.014158  -0.018844  -0.004288   4.443959  -4.914526  11.991707
    13  C   -0.028129  -0.054501   0.033388  -5.484239   4.906986  -4.826909
    14  C    0.057080  -0.222800   0.027156   2.310068  -5.139816   3.979860
    15  H   -0.002579   0.005606  -0.000359  -2.322288   0.821824  -0.266853
    16  H   -0.000717  -0.000436   0.000579   1.118805  -1.682313   0.598755
    17  H    0.000561   0.000084  -0.000148  -0.226489   0.645453  -1.369801
    18  H    0.000355  -0.001960   0.000557   0.245125  -0.372577   0.676159
    19  H    0.001697  -0.048061  -0.000339  -0.198892   0.158481  -0.262917
              13         14         15         16         17         18
     1  O   -0.030519  -0.018843  -0.151718   0.002168   0.000767  -0.000948
     2  C   -0.221330  -2.075216   0.278597   0.020188  -0.016046   0.025241
     3  H    0.006900  -0.006296   0.017795   0.000354   0.000005   0.000035
     4  H    0.012130   0.076363   0.023030  -0.000529   0.000756   0.000822
     5  C    0.110599  -0.401796   0.021834   0.000940  -0.000024  -0.002789
     6  C    2.902350  -8.716761   0.671833  -0.327928   0.129596  -0.439293
     7  H   -0.028129   0.057080  -0.002579  -0.000717   0.000561   0.000355
     8  H   -0.054501  -0.222800   0.005606  -0.000436   0.000084  -0.001960
     9  H    0.033388   0.027156  -0.000359   0.000579  -0.000148   0.000557
    10  C   -5.484239   2.310068  -2.322288   1.118805  -0.226489   0.245125
    11  C    4.906986  -5.139816   0.821824  -1.682313   0.645453  -0.372577
    12  C   -4.826909   3.979860  -0.266853   0.598755  -1.369801   0.676159
    13  C   13.876051  -4.951843   0.185445  -0.426385   0.658494  -1.481058
    14  C   -4.951843  21.523571  -0.256432   0.238724  -0.223694   0.933336
    15  H    0.185445  -0.256432   3.203312  -0.199878  -0.026043   0.018624
    16  H   -0.426385   0.238724  -0.199878   2.492307  -0.143720  -0.031922
    17  H    0.658494  -0.223694  -0.026043  -0.143720   2.394782  -0.150487
    18  H   -1.481058   0.933336   0.018624  -0.031922  -0.150487   2.491546
    19  H    0.658087  -1.861535  -0.048201   0.016899  -0.022123  -0.235050
              19
     1  O    0.002765
     2  C   -0.145379
     3  H   -0.000090
     4  H    0.001807
     5  C    0.068130
     6  C    0.602853
     7  H    0.001697
     8  H   -0.048061
     9  H   -0.000339
    10  C   -0.198892
    11  C    0.158481
    12  C   -0.262917
    13  C    0.658087
    14  C   -1.861535
    15  H   -0.048201
    16  H    0.016899
    17  H   -0.022123
    18  H   -0.235050
    19  H    3.282838
 Mulliken charges:
               1
     1  O   -0.413185
     2  C    0.434497
     3  H    0.126272
     4  H   -0.372962
     5  C    0.783659
     6  C    1.435766
     7  H   -0.231094
     8  H   -0.242030
     9  H   -0.170669
    10  C    1.044342
    11  C    0.060226
    12  C    0.609866
    13  C    0.154481
    14  C    0.728874
    15  H   -0.973549
    16  H   -0.675891
    17  H   -0.651920
    18  H   -0.675716
    19  H   -0.970968
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.286913
     2  C    0.061535
     5  C    0.139867
     6  C    1.435766
    10  C    0.070793
    11  C   -0.615665
    12  C   -0.042055
    13  C   -0.521235
    14  C   -0.242094
 Electronic spatial extent (au):  <R**2>=           1276.9848
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2665    Y=             -0.8965    Z=              1.2101  Tot=              1.5294
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.8981   YY=            -50.9412   ZZ=            -57.1887
   XY=              2.0667   XZ=             -2.6421   YZ=              4.0034
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7779   YY=              2.7348   ZZ=             -3.5127
   XY=              2.0667   XZ=             -2.6421   YZ=              4.0034
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.9914  YYY=              4.6186  ZZZ=             -1.5955  XYY=              0.8614
  XXY=             -4.2984  XXZ=             10.0122  XZZ=            -10.8140  YZZ=              1.4248
  YYZ=              3.3025  XYZ=             -4.9651
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1159.8063 YYYY=           -398.7694 ZZZZ=           -124.4043 XXXY=              3.9320
 XXXZ=             -8.9337 YYYX=            -12.9282 YYYZ=             13.6677 ZZZX=              2.5792
 ZZZY=              0.3746 XXYY=           -258.3649 XXZZ=           -230.7057 YYZZ=            -97.5524
 XXYZ=             21.0396 YYXZ=             -7.3604 ZZXY=             -3.2244
 N-N= 4.253601437934D+02 E-N=-1.747537104040D+03  KE= 3.831338742677D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:45:15 2021, MaxMem=  5637144576 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.04765525D-01-3.25934540D-01 4.80616367D-01
 Polarizability= 1.19505687D+02 1.75631899D+00 9.99481783D+01
                 2.10175880D+00 5.58916901D+00 6.41850941D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.9954   -0.9954        0.7669    0.7664
 2      0.9954    0.9954       -2.6191   -2.6191      -11.0742  -11.0756
 3     -0.7669   -0.7664       29.2589   29.2599        2.6187    2.6191
 4      2.6191    2.6191        0.0000    0.0000       -0.7661   -0.7664
 5    -18.1846  -18.1843        0.7661    0.7664       -0.9956   -0.9954
 6     -2.6187   -2.6191        0.9956    0.9954       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.9862    2.9862        2.2992    2.2992
 2      7.8573    7.8573        0.0000    0.0000        2.2992    2.2992
 3      7.8573    7.8573        2.9862    2.9862        0.0000    0.0000
 4      2.9862    2.9862       -7.8573   -7.8573      -33.2268  -33.2268
 5     -2.2992   -2.2992       87.7797   87.7797        7.8573    7.8573
 6    -54.5530  -54.5530        2.2992    2.2992       -2.9862   -2.9862
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0398    0.0000        3.9682    3.9816       -3.0089   -3.0656
 2     -3.9898   -3.9816       10.4427   10.4764       44.2430   44.3024
 3      3.0109    3.0656     -117.0304 -117.0396      -10.4917  -10.4764
 4    -10.4837  -10.4764        0.0084    0.0000        3.0813    3.0656
 5     72.7633   72.7373       -3.0522   -3.0656        3.9296    3.9816
 6     10.4886   10.4764       -3.9882   -3.9816        0.0413    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0341    0.0000        1.2808    1.2525      -10.7134  -10.7366
 2     -1.2886   -1.2525      -41.0714  -41.1077      -20.0784  -20.0887
 3     10.7528   10.7366      -16.1869  -16.1527       41.0487   41.1077
 4     41.1026   41.1077       -0.0089    0.0000       10.7062   10.7366
 5     36.2141   36.2413      -10.7289  -10.7366        1.2184    1.2525
 6    -41.1322  -41.1077       -1.2642   -1.2525       -0.0110    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     10.6815   10.6852       11.6208   11.6555       17.5390   17.4732
 2     77.5011   77.4756        3.6595    3.6798       17.4962   17.4732
 3     77.4982   77.4756       11.6362   11.6555       20.8922   20.8936
 4      7.9297    7.9757      -66.7096  -66.7904      -24.0206  -24.0477
 5      3.4344    3.4204      -32.3901  -32.4635       66.8015   66.7904
 6     56.5593   56.5112       -3.4208   -3.4204       -7.9138   -7.9757
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.1307   -1.9003   -0.0007   -0.0005    0.0003    5.0110
 Low frequencies ---   31.1155  139.5620  220.3087
 Diagonal vibrational polarizability:
       50.2402029      12.9840523      23.9614559
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.0917               139.5619               220.3086
 Red. masses --      3.3798                 3.4142                 2.7288
 Frc consts  --      0.0019                 0.0392                 0.0780
 IR Inten    --      1.0137                 2.0383                 0.5945
 RamAct Fr= 1--      2.5267                 4.1665                 0.1659
  Dep-P Fr= 1--      0.7495                 0.7210                 0.5413
  Dep-U Fr= 1--      0.8568                 0.8379                 0.7024
 Alpha2 Fr= 1--      0.0000                 0.0021                 0.0007
 Beta2  Fr= 1--      0.3608                 0.5818                 0.0194
 AlphaG Fr= 1--      0.0003                 0.0012                -0.0017
 Gamma2 Fr= 1--     -0.7802                -0.2369                 0.0540
 Delta2 Fr= 1--     -0.3821                -0.0964                 0.0551
 Raman1 Fr= 1--      10.107                 16.666                  0.663
 ROA1   Fr= 1--     -87.129                -25.824                  6.949
 CID1   Fr= 1--      -8.621                 -1.549                 10.474
 Raman2 Fr= 1--       4.330                  6.982                  0.233
 ROA2   Fr= 1--     -15.668                 -4.914                  0.855
 CID2   Fr= 1--      -3.618                 -0.704                  3.670
 Raman3 Fr= 1--       8.660                 13.964                  0.466
 ROA3   Fr= 1--     -87.129                -25.824                  6.949
 CID3   Fr= 1--     -10.061                 -1.849                 14.910
 RC180  Fr= 1--       0.714                  0.676                  0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.05   0.21    -0.06  -0.00   0.08     0.18   0.07   0.05
     2   6    -0.00   0.04  -0.02    -0.02   0.02  -0.04    -0.02  -0.03  -0.00
     3   1     0.11  -0.06   0.25     0.16   0.02   0.08     0.24   0.03   0.07
     4   1     0.01   0.24  -0.10    -0.17   0.02  -0.01    -0.13   0.01   0.00
     5   6    -0.04  -0.14  -0.20     0.21  -0.00   0.09    -0.10   0.07   0.03
     6   6     0.00   0.01   0.01    -0.01   0.04  -0.20    -0.01  -0.14  -0.05
     7   1    -0.04  -0.34  -0.12     0.46  -0.03   0.05     0.23  -0.10   0.04
     8   1    -0.08  -0.15  -0.39     0.19  -0.01  -0.04    -0.44  -0.07  -0.17
     9   1    -0.04  -0.07  -0.23     0.17   0.02   0.34    -0.15   0.45   0.23
    10   6     0.03   0.04  -0.14    -0.00   0.03  -0.17    -0.09  -0.09  -0.04
    11   6     0.03   0.03  -0.15    -0.02  -0.02   0.03    -0.11   0.03   0.01
    12   6     0.01   0.01  -0.01    -0.06  -0.06   0.20    -0.03   0.09   0.03
    13   6    -0.02  -0.02   0.14    -0.05  -0.03   0.07     0.08   0.04  -0.01
    14   6    -0.02  -0.02   0.15    -0.02   0.02  -0.14     0.07  -0.08  -0.05
    15   1     0.04   0.05  -0.25     0.02   0.05  -0.24    -0.16  -0.14  -0.08
    16   1     0.04   0.05  -0.27    -0.02  -0.03   0.10    -0.20   0.07   0.03
    17   1     0.01   0.00  -0.01    -0.08  -0.10   0.41    -0.03   0.16   0.07
    18   1    -0.03  -0.04   0.25    -0.07  -0.05   0.17     0.16   0.09   0.00
    19   1    -0.03  -0.04   0.26    -0.03   0.04  -0.20     0.16  -0.13  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    255.6224               287.8783               325.9364
 Red. masses --      1.2689                 1.0418                 3.3800
 Frc consts  --      0.0488                 0.0509                 0.2116
 IR Inten    --      4.7238               123.4820                 0.4163
 RamAct Fr= 1--      0.1704                 0.2132                 2.0588
  Dep-P Fr= 1--      0.7370                 0.7462                 0.1043
  Dep-U Fr= 1--      0.8486                 0.8547                 0.1888
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0357
 Beta2  Fr= 1--      0.0241                 0.0304                 0.0648
 AlphaG Fr= 1--     -0.0005                 0.0004                 0.0026
 Gamma2 Fr= 1--     -0.0430                -0.1211                -0.1101
 Delta2 Fr= 1--     -0.1229                 0.0659                 0.0276
 Raman1 Fr= 1--       0.682                  0.853                  8.235
 ROA1   Fr= 1--      -8.065                 -9.519                 -9.688
 CID1   Fr= 1--     -11.832                -11.160                 -1.176
 Raman2 Fr= 1--       0.289                  0.364                  0.778
 ROA2   Fr= 1--      -0.050                 -3.434                 -2.864
 CID2   Fr= 1--      -0.173                 -9.421                 -3.683
 Raman3 Fr= 1--       0.578                  0.729                  1.555
 ROA3   Fr= 1--      -8.065                 -9.519                 -9.688
 CID3   Fr= 1--     -13.943                -13.058                 -6.230
 RC180  Fr= 1--       0.697                  0.709                 -0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.04  -0.02  -0.06    -0.02  -0.02  -0.00     0.15   0.09  -0.03
     2   6     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.03   0.04  -0.08
     3   1     0.10   0.11  -0.10     0.87   0.43  -0.13     0.12   0.03  -0.01
     4   1     0.03  -0.02  -0.00    -0.01   0.01   0.01    -0.01   0.08  -0.09
     5   6     0.04  -0.03  -0.00    -0.02  -0.03  -0.00     0.25  -0.02  -0.03
     6   6    -0.01   0.03   0.03    -0.01   0.00   0.00    -0.03  -0.03  -0.00
     7   1     0.50  -0.35   0.04    -0.13   0.02  -0.00     0.22   0.09  -0.07
     8   1    -0.31  -0.16  -0.41     0.06   0.00   0.06     0.54   0.10   0.02
     9   1    -0.03   0.38   0.32     0.00  -0.10  -0.08     0.25  -0.35   0.07
    10   6     0.01   0.02   0.05     0.00   0.00  -0.00    -0.11  -0.03   0.10
    11   6     0.02  -0.00   0.01    -0.00   0.00   0.01    -0.12   0.00   0.03
    12   6     0.01  -0.01  -0.04     0.00   0.00   0.00    -0.11   0.03  -0.13
    13   6    -0.02  -0.00   0.00    -0.00   0.01  -0.02    -0.08  -0.02   0.03
    14   6    -0.03   0.02   0.05    -0.00   0.01   0.00    -0.08  -0.07   0.11
    15   1     0.04   0.04   0.07     0.04   0.03  -0.03    -0.15  -0.07   0.14
    16   1     0.04  -0.01   0.00    -0.00   0.00   0.02    -0.12  -0.00   0.04
    17   1     0.01  -0.02  -0.10     0.00   0.00  -0.00    -0.09   0.07  -0.28
    18   1    -0.04  -0.01  -0.01    -0.00   0.01  -0.04    -0.05  -0.01   0.06
    19   1    -0.05   0.03   0.07    -0.00   0.01   0.01    -0.09  -0.08   0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    397.2469               414.6626               467.3430
 Red. masses --      4.5432                 2.9593                 2.9733
 Frc consts  --      0.4224                 0.2998                 0.3826
 IR Inten    --      7.5308                 1.3417                 2.8514
 RamAct Fr= 1--      1.6196                 0.0066                 2.5861
  Dep-P Fr= 1--      0.5144                 0.6175                 0.1363
  Dep-U Fr= 1--      0.6793                 0.7635                 0.2398
 Alpha2 Fr= 1--      0.0075                 0.0000                 0.0414
 Beta2  Fr= 1--      0.1834                 0.0008                 0.1034
 AlphaG Fr= 1--     -0.0110                -0.0007                 0.0198
 Gamma2 Fr= 1--      0.3810                -0.0604                 0.1544
 Delta2 Fr= 1--      0.0791                -0.0201                -0.1222
 Raman1 Fr= 1--       6.478                  0.026                 10.345
 ROA1   Fr= 1--      39.111                 -6.437                 10.910
 CID1   Fr= 1--       6.037               -245.252                  1.055
 Raman2 Fr= 1--       2.200                  0.010                  1.241
 ROA2   Fr= 1--       8.512                 -1.288                  4.683
 CID2   Fr= 1--       3.869               -128.517                  3.775
 Raman3 Fr= 1--       4.401                  0.020                  2.481
 ROA3   Fr= 1--      39.111                 -6.437                 10.910
 CID3   Fr= 1--       8.887               -321.207                  4.398
 RC180  Fr= 1--       0.359                  0.527                 -0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.01  -0.09    -0.01  -0.00   0.01    -0.07   0.19  -0.11
     2   6     0.08  -0.07   0.16    -0.00   0.00  -0.01    -0.13   0.11   0.10
     3   1    -0.06   0.02  -0.11     0.13   0.05  -0.01    -0.24   0.33  -0.16
     4   1     0.17  -0.16   0.17    -0.01   0.00  -0.01    -0.14   0.09   0.12
     5   6    -0.04  -0.17   0.05    -0.01   0.01  -0.00     0.02  -0.12   0.04
     6   6    -0.01   0.07   0.14     0.00  -0.01  -0.02    -0.05  -0.08   0.07
     7   1    -0.14  -0.36   0.15    -0.00   0.02  -0.01     0.01  -0.35   0.13
     8   1    -0.04  -0.17  -0.11    -0.00   0.01   0.01     0.31   0.01  -0.28
     9   1    -0.02  -0.15  -0.08    -0.01   0.02   0.00     0.03  -0.41   0.11
    10   6    -0.01   0.13  -0.05    -0.03  -0.05   0.22     0.01  -0.10  -0.03
    11   6    -0.01   0.06  -0.09     0.02   0.03  -0.19     0.01  -0.03  -0.05
    12   6    -0.13  -0.04   0.12     0.01   0.01  -0.01     0.07   0.01   0.07
    13   6    -0.13   0.00  -0.06    -0.02  -0.03   0.21     0.08   0.03  -0.02
    14   6    -0.10   0.08  -0.11     0.03   0.03  -0.20     0.06  -0.04  -0.02
    15   1     0.00   0.14  -0.15    -0.05  -0.08   0.45     0.01  -0.09  -0.08
    16   1     0.09   0.03  -0.21     0.04   0.08  -0.43    -0.06   0.02  -0.12
    17   1    -0.14  -0.12   0.25     0.01   0.02  -0.04     0.07   0.04   0.13
    18   1    -0.14   0.00  -0.14    -0.04  -0.07   0.45     0.10   0.04  -0.09
    19   1    -0.18   0.17  -0.28     0.06   0.07  -0.42     0.16  -0.07  -0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    529.4549               613.8005               638.1778
 Red. masses --      3.4072                 3.2970                 6.3662
 Frc consts  --      0.5627                 0.7318                 1.5276
 IR Inten    --     20.8339                 7.1382                 0.0719
 RamAct Fr= 1--      1.8143                 1.1160                 4.0630
  Dep-P Fr= 1--      0.2778                 0.7350                 0.7494
  Dep-U Fr= 1--      0.4348                 0.8472                 0.8568
 Alpha2 Fr= 1--      0.0199                 0.0003                 0.0000
 Beta2  Fr= 1--      0.1315                 0.1576                 0.5802
 AlphaG Fr= 1--     -0.0123                -0.0017                 0.0007
 Gamma2 Fr= 1--     -0.3786                -0.0034                 0.1150
 Delta2 Fr= 1--     -0.2783                 0.0465                 0.0027
 Raman1 Fr= 1--       7.257                  4.464                 16.252
 ROA1   Fr= 1--     -45.248                  1.165                 11.122
 CID1   Fr= 1--      -6.235                  0.261                  0.684
 Raman2 Fr= 1--       1.578                  1.891                  6.962
 ROA2   Fr= 1--      -6.860                 -0.452                  2.738
 CID2   Fr= 1--      -4.348                 -0.239                  0.393
 Raman3 Fr= 1--       3.155                  3.782                 13.924
 ROA3   Fr= 1--     -45.248                  1.165                 11.122
 CID3   Fr= 1--     -14.340                  0.308                  0.799
 RC180  Fr= 1--      -0.130                  0.694                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11  -0.04   0.03    -0.09   0.01  -0.03    -0.00   0.03   0.00
     2   6     0.11   0.06  -0.03     0.16   0.10   0.19     0.01   0.00   0.02
     3   1     0.08   0.01   0.02    -0.14   0.26  -0.12     0.03   0.05  -0.01
     4   1     0.28   0.13  -0.09     0.16   0.03   0.22     0.01   0.00   0.02
     5   6     0.10   0.14  -0.09     0.01   0.01  -0.00    -0.01   0.00   0.00
     6   6     0.04  -0.08   0.25     0.16  -0.01  -0.07    -0.00   0.14   0.02
     7   1     0.17   0.21  -0.13    -0.26  -0.26   0.15    -0.02  -0.03   0.02
     8   1     0.04   0.11  -0.02    -0.08  -0.02  -0.17    -0.01   0.00  -0.03
     9   1     0.09   0.22  -0.05     0.06   0.12  -0.34    -0.00   0.01  -0.02
    10   6    -0.04  -0.02   0.02     0.00   0.04  -0.05    -0.25   0.20   0.00
    11   6    -0.05   0.04  -0.12    -0.05   0.07   0.08    -0.24  -0.24  -0.06
    12   6    -0.10  -0.02   0.15    -0.14   0.03  -0.11     0.00  -0.14  -0.03
    13   6     0.02  -0.03  -0.12    -0.00  -0.10   0.05     0.26  -0.23  -0.00
    14   6     0.01  -0.09   0.01     0.03  -0.14  -0.08     0.23   0.21   0.05
    15   1    -0.10  -0.04  -0.25    -0.16  -0.07   0.07    -0.10   0.29   0.04
    16   1    -0.00   0.07  -0.40    -0.00  -0.01   0.30    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.15   0.04  -0.05    -0.02   0.29   0.04
    18   1     0.12   0.07  -0.38     0.12  -0.05   0.30     0.13  -0.32  -0.01
    19   1     0.01  -0.03  -0.26    -0.07  -0.13   0.08     0.07   0.29   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0793               755.9441               781.3334
 Red. masses --      1.7922                 2.8187                 2.1314
 Frc consts  --      0.5384                 0.9490                 0.7666
 IR Inten    --     39.6210                17.1668                17.2825
 RamAct Fr= 1--      0.0473                 9.7787                 5.1113
  Dep-P Fr= 1--      0.2933                 0.0477                 0.1752
  Dep-U Fr= 1--      0.4536                 0.0910                 0.2981
 Alpha2 Fr= 1--      0.0005                 0.1942                 0.0741
 Beta2  Fr= 1--      0.0036                 0.1484                 0.2540
 AlphaG Fr= 1--      0.0028                -0.0435                 0.0071
 Gamma2 Fr= 1--      0.0425                 1.1613                 0.9718
 Delta2 Fr= 1--     -0.0067                 0.3397                 0.1086
 Raman1 Fr= 1--       0.189                 39.115                 20.445
 ROA1   Fr= 1--       3.870                122.359                 96.766
 CID1   Fr= 1--      20.464                  3.128                  4.733
 Raman2 Fr= 1--       0.043                  1.780                  3.048
 ROA2   Fr= 1--       1.074                 25.154                 22.454
 CID2   Fr= 1--      25.048                 14.129                  7.368
 Raman3 Fr= 1--       0.086                  3.561                  6.095
 ROA3   Fr= 1--       3.870                122.359                 96.766
 CID3   Fr= 1--      45.111                 34.364                 15.876
 RC180  Fr= 1--      -0.093                 -0.818                 -0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.01  -0.06   0.01    -0.00   0.04  -0.00
     2   6     0.00   0.00   0.00     0.08   0.03   0.09    -0.09  -0.04  -0.09
     3   1     0.01   0.02  -0.01    -0.02   0.05  -0.04     0.07  -0.07   0.04
     4   1    -0.04  -0.01   0.02     0.19   0.00   0.07     0.04   0.08  -0.16
     5   6    -0.00  -0.00   0.00     0.07   0.08  -0.06    -0.04  -0.04   0.01
     6   6     0.02   0.02  -0.10    -0.10  -0.03   0.12     0.02  -0.03   0.18
     7   1    -0.03  -0.02   0.01    -0.02  -0.01  -0.01     0.21   0.16  -0.12
     8   1    -0.02  -0.01   0.00     0.03   0.07  -0.12     0.06   0.00   0.14
     9   1     0.00   0.01  -0.03     0.09   0.14  -0.19    -0.09  -0.16   0.33
    10   6    -0.01  -0.00   0.08    -0.03  -0.11  -0.10     0.03   0.08  -0.04
    11   6     0.02   0.03  -0.14    -0.06  -0.13  -0.02     0.04   0.08   0.02
    12   6    -0.02  -0.01   0.07     0.13   0.03  -0.08    -0.05   0.01  -0.11
    13   6     0.02   0.02  -0.14    -0.06   0.11   0.03     0.03  -0.07  -0.00
    14   6    -0.01  -0.02   0.07    -0.04   0.11  -0.07     0.04  -0.04  -0.08
    15   1    -0.05  -0.06   0.49     0.02  -0.10   0.09    -0.01   0.05  -0.01
    16   1    -0.01  -0.03   0.19    -0.28  -0.12   0.41     0.10  -0.04   0.42
    17   1    -0.08  -0.10   0.56     0.07  -0.05   0.42    -0.11  -0.10   0.44
    18   1    -0.01  -0.04   0.20    -0.24  -0.05   0.42     0.07  -0.10   0.42
    19   1    -0.06  -0.10   0.50     0.03   0.03   0.11    -0.02  -0.03   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.9221               913.0837               922.4709
 Red. masses --      1.2493                 2.2620                 1.3763
 Frc consts  --      0.5405                 1.1111                 0.6901
 IR Inten    --      0.1375                 9.6157                 1.7389
 RamAct Fr= 1--      1.2770                 2.0911                 1.1968
  Dep-P Fr= 1--      0.7341                 0.7031                 0.3807
  Dep-U Fr= 1--      0.8467                 0.8256                 0.5515
 Alpha2 Fr= 1--      0.0003                 0.0017                 0.0095
 Beta2  Fr= 1--      0.1802                 0.2878                 0.1100
 AlphaG Fr= 1--     -0.0010                -0.0124                -0.0090
 Gamma2 Fr= 1--     -0.1235                -2.2563                -0.9307
 Delta2 Fr= 1--      0.0103                -1.5987                 0.1295
 Raman1 Fr= 1--       5.108                  8.365                  4.787
 ROA1   Fr= 1--     -11.525               -267.760                -85.206
 CID1   Fr= 1--      -2.256                -32.011                -17.798
 Raman2 Fr= 1--       2.162                  3.453                  1.320
 ROA2   Fr= 1--      -3.047                -41.360                -23.373
 CID2   Fr= 1--      -1.409                -11.978                -17.706
 Raman3 Fr= 1--       4.325                  6.906                  2.640
 ROA3   Fr= 1--     -11.525               -267.760                -85.206
 CID3   Fr= 1--      -2.665                -38.772                -32.273
 RC180  Fr= 1--       0.693                  0.651                  0.103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00     0.07  -0.14   0.01    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.16   0.02   0.07     0.01   0.00  -0.01
     3   1    -0.02  -0.00   0.00     0.03  -0.07  -0.02    -0.01  -0.03   0.01
     4   1     0.01   0.00  -0.00    -0.26  -0.19   0.17    -0.10  -0.07   0.04
     5   6     0.00  -0.00   0.00     0.00   0.18  -0.07     0.01   0.00   0.02
     6   6     0.00  -0.00   0.01    -0.04  -0.01  -0.00     0.01   0.01  -0.06
     7   1    -0.00   0.00  -0.00     0.03  -0.22   0.07    -0.09  -0.08   0.07
     8   1    -0.01  -0.01   0.01     0.38   0.35  -0.59    -0.03  -0.01  -0.04
     9   1     0.00   0.00  -0.01     0.02  -0.22  -0.04     0.03   0.04  -0.11
    10   6    -0.01  -0.01   0.07     0.01   0.04   0.01    -0.02  -0.01   0.09
    11   6    -0.01  -0.01   0.07     0.04   0.06   0.02     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.01    -0.03  -0.01  -0.00     0.02   0.02  -0.10
    13   6     0.01   0.02  -0.07     0.04  -0.05  -0.01     0.00   0.00  -0.01
    14   6     0.01   0.02  -0.08     0.01  -0.01  -0.00    -0.01  -0.02   0.09
    15   1     0.04   0.06  -0.47     0.02   0.05   0.02     0.04   0.06  -0.52
    16   1     0.06   0.08  -0.49     0.12   0.03  -0.02     0.01   0.01  -0.06
    17   1     0.01   0.00  -0.04    -0.02  -0.01  -0.02    -0.06  -0.11   0.60
    18   1    -0.06  -0.09   0.46     0.08  -0.03   0.04    -0.01  -0.01   0.04
    19   1    -0.05  -0.10   0.52     0.03  -0.03   0.02     0.05   0.10  -0.49
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.3666               978.6806              1024.9496
 Red. masses --      1.3481                 1.2415                 6.0437
 Frc consts  --      0.7341                 0.7006                 3.7408
 IR Inten    --      0.1607                 0.2299                 0.3631
 RamAct Fr= 1--      0.0968                 0.2760                49.4187
  Dep-P Fr= 1--      0.2115                 0.0927                 0.0512
  Dep-U Fr= 1--      0.3492                 0.1697                 0.0973
 Alpha2 Fr= 1--      0.0013                 0.0049                 0.9735
 Beta2  Fr= 1--      0.0056                 0.0078                 0.8017
 AlphaG Fr= 1--      0.0058                 0.0103                 0.0304
 Gamma2 Fr= 1--      0.2464                 0.0974                 0.0636
 Delta2 Fr= 1--     -0.0527                -0.0045                 0.0542
 Raman1 Fr= 1--       0.387                  1.104                197.675
 ROA1   Fr= 1--      21.972                  9.203                  7.843
 CID1   Fr= 1--      56.759                  8.336                  0.040
 Raman2 Fr= 1--       0.068                  0.094                  9.620
 ROA2   Fr= 1--       6.335                  2.372                  1.094
 CID2   Fr= 1--      93.748                 25.333                  0.114
 Raman3 Fr= 1--       0.135                  0.187                 19.240
 ROA3   Fr= 1--      21.972                  9.203                  7.843
 CID3   Fr= 1--     162.561                 49.136                  0.408
 RC180  Fr= 1--      -0.302                 -0.661                 -0.805
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.02   0.01
     3   1     0.01   0.01  -0.00     0.00  -0.02   0.01     0.03  -0.01   0.01
     4   1     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.05  -0.04   0.02
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.03   0.01  -0.01
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
     7   1     0.01   0.01  -0.01    -0.02  -0.03   0.02    -0.03  -0.00   0.00
     8   1     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.03  -0.02   0.01
     9   1    -0.01   0.00   0.02     0.01   0.00  -0.02     0.03   0.05  -0.08
    10   6     0.01   0.01  -0.08    -0.01  -0.00   0.05    -0.21   0.34   0.02
    11   6    -0.01  -0.02   0.07     0.01   0.02  -0.09    -0.01  -0.04   0.00
    12   6    -0.01  -0.00   0.02    -0.00  -0.01   0.08     0.37   0.02   0.05
    13   6     0.01   0.02  -0.10     0.01   0.01  -0.06    -0.02   0.04   0.01
    14   6    -0.01  -0.01   0.09    -0.00  -0.01   0.02    -0.16  -0.35  -0.08
    15   1    -0.02  -0.05   0.43     0.02   0.05  -0.39    -0.14   0.39   0.14
    16   1     0.03   0.06  -0.37    -0.06  -0.10   0.58     0.04  -0.04  -0.05
    17   1     0.01   0.03  -0.11     0.07   0.08  -0.50     0.38   0.00   0.06
    18   1    -0.06  -0.10   0.59    -0.05  -0.08   0.40     0.02   0.04   0.01
    19   1     0.05   0.10  -0.50     0.02   0.04  -0.21    -0.08  -0.41  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1030.6125              1052.8848              1068.1301
 Red. masses --      1.9719                 2.1783                 1.6872
 Frc consts  --      1.2340                 1.4227                 1.1341
 IR Inten    --     32.1969                24.2766                11.4777
 RamAct Fr= 1--      4.0406                21.6255                 5.4044
  Dep-P Fr= 1--      0.3659                 0.0437                 0.3541
  Dep-U Fr= 1--      0.5357                 0.0837                 0.5230
 Alpha2 Fr= 1--      0.0337                 0.4337                 0.0468
 Beta2  Fr= 1--      0.3608                 0.3016                 0.4710
 AlphaG Fr= 1--      0.0124                -0.0128                -0.0322
 Gamma2 Fr= 1--      0.9397                -0.6540                -0.3667
 Delta2 Fr= 1--      1.2052                -0.6609                 0.5774
 Raman1 Fr= 1--      16.162                 86.502                 21.618
 ROA1   Fr= 1--     128.782                -83.930                -16.722
 CID1   Fr= 1--       7.968                 -0.970                 -0.774
 Raman2 Fr= 1--       4.329                  3.619                  5.653
 ROA2   Fr= 1--      12.912                -10.407                -13.420
 CID2   Fr= 1--       2.982                 -2.876                 -2.374
 Raman3 Fr= 1--       8.659                  7.238                 11.305
 ROA3   Fr= 1--     128.782                -83.930                -16.722
 CID3   Fr= 1--      14.873                -11.596                 -1.479
 RC180  Fr= 1--       0.071                 -0.833                  0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.11   0.00    -0.03   0.03  -0.00     0.02  -0.01   0.01
     2   6     0.04   0.17   0.02     0.02  -0.03  -0.07    -0.07  -0.06   0.13
     3   1    -0.08   0.12  -0.09     0.13  -0.25   0.11    -0.24   0.42  -0.16
     4   1     0.32   0.37  -0.13    -0.01  -0.18   0.01    -0.14   0.16   0.06
     5   6    -0.13  -0.03  -0.00    -0.02   0.03   0.05     0.06  -0.03  -0.12
     6   6     0.07   0.03  -0.06     0.05  -0.01   0.03    -0.04  -0.01  -0.03
     7   1     0.27   0.08  -0.11    -0.09  -0.22   0.16     0.16   0.39  -0.30
     8   1     0.21   0.11   0.05     0.08   0.08  -0.20    -0.10  -0.10   0.28
     9   1    -0.20  -0.34   0.53     0.00  -0.12  -0.04     0.02   0.24   0.01
    10   6     0.00  -0.01   0.02     0.04   0.06   0.01     0.01   0.04   0.02
    11   6    -0.04  -0.07  -0.02    -0.02  -0.17  -0.03     0.02  -0.04  -0.01
    12   6     0.01   0.02  -0.00    -0.12  -0.01  -0.02    -0.06  -0.01  -0.01
    13   6    -0.02   0.04   0.01    -0.05   0.18   0.03     0.01   0.06   0.01
    14   6    -0.02  -0.03   0.01     0.05  -0.04  -0.01     0.03  -0.02   0.01
    15   1     0.04   0.03  -0.11     0.26   0.20   0.08     0.15   0.13  -0.05
    16   1    -0.07  -0.05  -0.01     0.26  -0.33  -0.02     0.21  -0.14   0.01
    17   1     0.00   0.09   0.05    -0.13  -0.05  -0.03    -0.07  -0.06  -0.02
    18   1     0.02   0.07  -0.01     0.20   0.35   0.09     0.15   0.15   0.05
    19   1    -0.03  -0.01  -0.06     0.32  -0.18   0.03     0.20  -0.09  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.7204              1126.5183              1185.0647
 Red. masses --      1.8986                 2.1074                 1.1172
 Frc consts  --      1.3455                 1.5757                 0.9244
 IR Inten    --     27.8142                29.7377                 0.2513
 RamAct Fr= 1--      4.4528                 5.2039                 3.7743
  Dep-P Fr= 1--      0.1904                 0.1182                 0.7496
  Dep-U Fr= 1--      0.3199                 0.2115                 0.8569
 Alpha2 Fr= 1--      0.0620                 0.0871                 0.0000
 Beta2  Fr= 1--      0.2374                 0.1834                 0.5390
 AlphaG Fr= 1--      0.0159                 0.0038                -0.0003
 Gamma2 Fr= 1--      0.4420                -0.7419                 0.0503
 Delta2 Fr= 1--      0.3634                -0.3034                 0.1215
 Raman1 Fr= 1--      17.811                 20.815                 15.097
 ROA1   Fr= 1--      54.065                -80.931                  8.713
 CID1   Fr= 1--       3.035                 -3.888                  0.577
 Raman2 Fr= 1--       2.849                  2.201                  6.468
 ROA2   Fr= 1--       7.701                -15.379                  0.234
 CID2   Fr= 1--       2.703                 -6.988                  0.036
 Raman3 Fr= 1--       5.699                  4.402                 12.936
 ROA3   Fr= 1--      54.065                -80.931                  8.713
 CID3   Fr= 1--       9.487                -18.387                  0.673
 RC180  Fr= 1--      -0.360                 -0.577                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.06  -0.00     0.04  -0.09  -0.00    -0.00   0.00  -0.00
     2   6    -0.05   0.12  -0.06    -0.03   0.19  -0.08     0.00  -0.00   0.00
     3   1    -0.03  -0.05  -0.01    -0.05   0.06  -0.07     0.01  -0.01   0.01
     4   1    -0.12   0.08  -0.03    -0.12   0.27  -0.10     0.02  -0.02   0.00
     5   6     0.06  -0.04   0.05     0.04  -0.05   0.08    -0.00  -0.00  -0.00
     6   6    -0.08   0.05   0.03    -0.07  -0.03   0.03    -0.01   0.00  -0.00
     7   1    -0.20  -0.03   0.09    -0.24  -0.07   0.14     0.01   0.01  -0.01
     8   1    -0.20  -0.14   0.10    -0.19  -0.14   0.09     0.00   0.00   0.00
     9   1     0.08   0.19  -0.21     0.06   0.16  -0.17    -0.00   0.00   0.00
    10   6     0.09  -0.03   0.00    -0.09   0.02  -0.02    -0.01  -0.01  -0.00
    11   6    -0.02  -0.05  -0.01     0.06   0.05   0.02     0.05  -0.02   0.00
    12   6    -0.03   0.07   0.01    -0.01  -0.06  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.06  -0.00    -0.02   0.03   0.00    -0.04  -0.02  -0.01
    14   6    -0.07  -0.06  -0.03     0.08   0.02   0.01     0.01  -0.01  -0.00
    15   1     0.46   0.20   0.07    -0.31  -0.11   0.01    -0.15  -0.10  -0.02
    16   1    -0.12  -0.01   0.01     0.27  -0.06   0.02     0.45  -0.23   0.01
    17   1    -0.05   0.47   0.07     0.01  -0.41  -0.08    -0.04   0.65   0.11
    18   1     0.33   0.09   0.06    -0.09  -0.02  -0.00    -0.39  -0.24  -0.09
    19   1    -0.25   0.01   0.00     0.43  -0.16   0.03     0.17  -0.09  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1206.0194              1218.8630              1284.3630
 Red. masses --      1.1768                 2.0955                 1.6500
 Frc consts  --      1.0085                 1.8342                 1.6036
 IR Inten    --      2.9172                19.5853                 8.9940
 RamAct Fr= 1--      6.7554                11.6755                 6.9007
  Dep-P Fr= 1--      0.2871                 0.0971                 0.0632
  Dep-U Fr= 1--      0.4461                 0.1769                 0.1188
 Alpha2 Fr= 1--      0.0720                 0.2059                 0.1321
 Beta2  Fr= 1--      0.5023                 0.3443                 0.1366
 AlphaG Fr= 1--      0.0151                -0.0696                -0.0347
 Gamma2 Fr= 1--      0.0567                -0.9040                -0.5289
 Delta2 Fr= 1--      0.0410                 0.2439                 0.3480
 Raman1 Fr= 1--      27.021                 46.702                 27.603
 ROA1   Fr= 1--       6.758                -78.977                -39.637
 CID1   Fr= 1--       0.250                 -1.691                 -1.436
 Raman2 Fr= 1--       6.028                  4.132                  1.640
 ROA2   Fr= 1--       1.033                -23.647                -15.478
 CID2   Fr= 1--       0.171                 -5.724                 -9.439
 Raman3 Fr= 1--      12.055                  8.263                  3.279
 ROA3   Fr= 1--       6.758                -78.977                -39.637
 CID3   Fr= 1--       0.561                 -9.558                -12.087
 RC180  Fr= 1--      -0.108                 -0.646                 -0.762
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.01  -0.00     0.02  -0.03   0.01    -0.00  -0.01   0.04
     2   6     0.03   0.00   0.01    -0.10  -0.00  -0.05     0.11  -0.11  -0.08
     3   1     0.02  -0.07   0.03    -0.16   0.27  -0.11    -0.32   0.57  -0.19
     4   1     0.13  -0.04   0.01    -0.58   0.13  -0.01    -0.08   0.42  -0.26
     5   6    -0.01  -0.00  -0.00     0.03   0.00   0.00    -0.03   0.05   0.07
     6   6    -0.07   0.01  -0.01     0.23  -0.05   0.06    -0.08  -0.08  -0.01
     7   1     0.03   0.02  -0.02    -0.10   0.00   0.02     0.01  -0.18   0.14
     8   1     0.03   0.01   0.01    -0.09  -0.05  -0.01     0.08   0.10  -0.20
     9   1    -0.01   0.00   0.03     0.03   0.04  -0.08     0.01  -0.16  -0.10
    10   6     0.03   0.02   0.01     0.07   0.04   0.01     0.00   0.02   0.00
    11   6    -0.02   0.04   0.00    -0.09  -0.04  -0.02     0.00   0.03   0.00
    12   6    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.07   0.05   0.00     0.04  -0.00   0.00
    14   6     0.05  -0.03   0.00     0.03   0.01  -0.00    -0.04   0.03  -0.00
    15   1     0.44   0.28   0.06     0.04   0.02   0.03     0.19   0.14   0.04
    16   1    -0.36   0.21  -0.00    -0.34   0.09  -0.02     0.14  -0.04   0.02
    17   1    -0.01  -0.04  -0.01     0.01   0.10   0.02    -0.01   0.06   0.01
    18   1    -0.34  -0.23  -0.08    -0.46  -0.19  -0.08     0.01  -0.02  -0.00
    19   1     0.51  -0.26  -0.00    -0.08   0.07   0.01    -0.05   0.03   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1328.7028              1342.9850              1359.6651
 Red. masses --      1.9455                 2.2933                 1.4856
 Frc consts  --      2.0236                 2.4370                 1.6181
 IR Inten    --     11.6539                 5.0029                 0.3975
 RamAct Fr= 1--      8.8803                 3.1139                 0.9187
  Dep-P Fr= 1--      0.2710                 0.3477                 0.2720
  Dep-U Fr= 1--      0.4264                 0.5160                 0.4276
 Alpha2 Fr= 1--      0.0992                 0.0275                 0.0102
 Beta2  Fr= 1--      0.6312                 0.2678                 0.0655
 AlphaG Fr= 1--      0.0213                -0.0355                -0.0187
 Gamma2 Fr= 1--      0.4459                -0.7851                -0.1896
 Delta2 Fr= 1--     -0.7094                -0.6836                -0.0439
 Raman1 Fr= 1--      35.521                 12.455                  3.675
 ROA1   Fr= 1--      20.109                -97.247                -19.603
 CID1   Fr= 1--       0.566                 -7.808                 -5.335
 Raman2 Fr= 1--       7.574                  3.213                  0.786
 ROA2   Fr= 1--      16.377                -13.374                 -4.199
 CID2   Fr= 1--       2.162                 -4.162                 -5.345
 Raman3 Fr= 1--      15.148                  6.427                  1.571
 ROA3   Fr= 1--      20.109                -97.247                -19.603
 CID3   Fr= 1--       1.328                -15.131                -12.476
 RC180  Fr= 1--      -0.147                  0.032                 -0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02   0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.01
     2   6    -0.14  -0.11  -0.00    -0.12  -0.01   0.07     0.03  -0.01  -0.02
     3   1    -0.07   0.16  -0.05     0.16  -0.32   0.10    -0.03   0.11  -0.03
     4   1     0.61   0.34  -0.34     0.65   0.34  -0.23    -0.11  -0.11   0.05
     5   6     0.04   0.04   0.05     0.05   0.01   0.02    -0.02  -0.01   0.01
     6   6     0.05   0.15   0.00     0.03  -0.16  -0.06    -0.02   0.05   0.01
     7   1    -0.13  -0.04   0.10    -0.14  -0.01   0.06     0.05   0.04  -0.03
     8   1    -0.09  -0.00  -0.19    -0.08  -0.03  -0.03     0.06   0.02  -0.04
     9   1     0.08   0.00  -0.18     0.06   0.09  -0.08    -0.01   0.02  -0.02
    10   6    -0.02  -0.04  -0.00     0.08   0.06   0.02     0.11   0.04   0.02
    11   6     0.05  -0.06  -0.00    -0.11   0.06  -0.00    -0.03   0.00  -0.00
    12   6    -0.00   0.06   0.01     0.01  -0.11  -0.02     0.01  -0.10  -0.02
    13   6    -0.07  -0.04  -0.02     0.10   0.07   0.03     0.03  -0.00   0.00
    14   6     0.06  -0.05   0.00    -0.09   0.05   0.00    -0.11   0.03  -0.01
    15   1    -0.17  -0.13  -0.05     0.02   0.03  -0.01    -0.46  -0.31  -0.08
    16   1    -0.25   0.10  -0.02     0.19  -0.09   0.01    -0.26   0.12  -0.01
    17   1    -0.00  -0.02  -0.00    -0.00   0.09   0.02    -0.02   0.31   0.05
    18   1     0.12   0.08   0.03    -0.19  -0.11  -0.05     0.24   0.13   0.05
    19   1     0.12  -0.08  -0.02    -0.03   0.02  -0.02     0.50  -0.28   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.6928              1412.8236              1484.1459
 Red. masses --      1.2216                 1.2022                 1.7785
 Frc consts  --      1.4262                 1.4138                 2.3082
 IR Inten    --      6.0773                43.5650                 9.6824
 RamAct Fr= 1--      1.1450                 6.4118                 1.4834
  Dep-P Fr= 1--      0.7433                 0.5296                 0.6757
  Dep-U Fr= 1--      0.8527                 0.6925                 0.8065
 Alpha2 Fr= 1--      0.0001                 0.0274                 0.0019
 Beta2  Fr= 1--      0.1627                 0.7400                 0.1994
 AlphaG Fr= 1--     -0.0005                -0.0426                 0.0121
 Gamma2 Fr= 1--     -0.2336                -1.0773                 3.5532
 Delta2 Fr= 1--     -0.2247                 0.8607                -1.4423
 Raman1 Fr= 1--       4.580                 25.647                  5.934
 ROA1   Fr= 1--     -29.612                -75.877                294.949
 CID1   Fr= 1--      -6.466                 -2.958                 49.708
 Raman2 Fr= 1--       1.953                  8.880                  2.393
 ROA2   Fr= 1--      -3.808                -32.740                 96.815
 CID2   Fr= 1--      -1.950                 -3.687                 40.463
 Raman3 Fr= 1--       3.905                 17.761                  4.785
 ROA3   Fr= 1--     -29.612                -75.877                294.949
 CID3   Fr= 1--      -7.582                 -4.272                 61.637
 RC180  Fr= 1--       0.705                  0.385                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.02    -0.01  -0.00  -0.06    -0.01   0.00   0.00
     2   6    -0.00  -0.00  -0.01     0.04  -0.04   0.07     0.01   0.02   0.00
     3   1    -0.06   0.13  -0.04     0.19  -0.41   0.11    -0.01  -0.01   0.00
     4   1     0.08  -0.15   0.03    -0.44   0.68  -0.11     0.08  -0.05   0.01
     5   6     0.06   0.08  -0.09     0.00   0.03  -0.02     0.03  -0.03   0.01
     6   6    -0.01   0.00  -0.00    -0.01   0.01   0.00     0.02  -0.12  -0.02
     7   1    -0.29  -0.41   0.18     0.01  -0.18   0.07    -0.35   0.25  -0.04
     8   1    -0.39  -0.14   0.38     0.01   0.02   0.16    -0.02  -0.02  -0.29
     9   1    -0.01  -0.37   0.43    -0.00  -0.03   0.05    -0.03   0.08   0.28
    10   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.09   0.03  -0.00
    11   6     0.00   0.00   0.00     0.03  -0.01   0.00     0.11   0.01   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.10  -0.02
    13   6     0.00  -0.00   0.00    -0.02  -0.02  -0.00    -0.12  -0.01  -0.02
    14   6    -0.01   0.00   0.00     0.01   0.01   0.00     0.05   0.06   0.02
    15   1    -0.01  -0.01  -0.00    -0.04  -0.02  -0.01     0.12   0.17   0.04
    16   1    -0.01   0.01   0.00    -0.09   0.05  -0.00    -0.23   0.21   0.01
    17   1    -0.00   0.02   0.00    -0.01   0.08   0.01    -0.02   0.51   0.09
    18   1     0.02   0.01   0.00     0.09   0.05   0.02     0.28   0.25   0.08
    19   1     0.06  -0.03  -0.01     0.06  -0.02  -0.00    -0.05   0.12   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.0922              1493.4677              1534.0705
 Red. masses --      1.1869                 1.0487                 2.1773
 Frc consts  --      1.5589                 1.3781                 3.0190
 IR Inten    --      0.4295                11.4754                 9.5881
 RamAct Fr= 1--      2.7841                 3.8626                 0.4127
  Dep-P Fr= 1--      0.7490                 0.7189                 0.6829
  Dep-U Fr= 1--      0.8565                 0.8365                 0.8116
 Alpha2 Fr= 1--      0.0000                 0.0021                 0.0005
 Beta2  Fr= 1--      0.3974                 0.5385                 0.0558
 AlphaG Fr= 1--      0.0010                 0.0191                 0.0013
 Gamma2 Fr= 1--     -1.8211                 1.2471                -0.5447
 Delta2 Fr= 1--      0.0192                 0.7524                 0.1781
 Raman1 Fr= 1--      11.137                 15.450                  1.651
 ROA1   Fr= 1--    -174.213                143.796                -46.588
 CID1   Fr= 1--     -15.643                  9.307                -28.221
 Raman2 Fr= 1--       4.769                  6.462                  0.670
 ROA2   Fr= 1--     -43.861                 23.911                -14.497
 CID2   Fr= 1--      -9.197                  3.700                -21.640
 Raman3 Fr= 1--       9.538                 12.923                  1.340
 ROA3   Fr= 1--    -174.213                143.796                -46.588
 CID3   Fr= 1--     -18.265                 11.127                -34.773
 RC180  Fr= 1--       0.713                  0.673                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
     2   6    -0.03   0.03  -0.00    -0.02  -0.01  -0.02    -0.03  -0.00  -0.00
     3   1    -0.00   0.02  -0.01    -0.05   0.08  -0.03    -0.01  -0.01   0.00
     4   1     0.12  -0.09   0.02     0.09  -0.03  -0.04    -0.04  -0.00   0.00
     5   6    -0.04   0.03   0.01    -0.02  -0.02  -0.04    -0.01   0.00   0.00
     6   6     0.00  -0.05  -0.01     0.00  -0.00  -0.00     0.13   0.01   0.02
     7   1     0.58  -0.30   0.02    -0.16  -0.38   0.15     0.08  -0.04   0.00
     8   1    -0.04  -0.01   0.40     0.53   0.20   0.32     0.00   0.00   0.06
     9   1     0.07  -0.15  -0.50    -0.07   0.58   0.16     0.01  -0.00  -0.08
    10   6    -0.03   0.02   0.00    -0.00   0.00   0.00    -0.06  -0.10  -0.02
    11   6     0.05   0.00   0.01     0.01  -0.00   0.00    -0.12   0.09   0.00
    12   6    -0.00  -0.05  -0.01    -0.00  -0.00  -0.00     0.10   0.02   0.02
    13   6    -0.04   0.01  -0.00    -0.01   0.00  -0.00    -0.10  -0.11  -0.03
    14   6     0.04   0.01   0.01     0.01   0.00   0.00    -0.08   0.09   0.01
    15   1     0.01   0.05   0.01     0.00   0.01   0.00     0.38   0.16   0.06
    16   1    -0.12   0.10   0.00    -0.01   0.01  -0.00     0.44  -0.19   0.02
    17   1    -0.02   0.21   0.04    -0.00   0.02   0.00     0.13  -0.04   0.01
    18   1     0.06   0.08   0.02     0.01   0.01   0.00     0.42   0.19   0.08
    19   1    -0.06   0.07   0.00    -0.02   0.01   0.01     0.45  -0.16   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1629.0041              1650.0597              3026.4562
 Red. masses --      5.5328                 5.5341                 1.0471
 Frc consts  --      8.6505                 8.8776                 5.6507
 IR Inten    --      0.6841                 4.0958                10.9677
 RamAct Fr= 1--      8.0445                34.8545               240.9501
  Dep-P Fr= 1--      0.7163                 0.6419                 0.0315
  Dep-U Fr= 1--      0.8347                 0.7819                 0.0611
 Alpha2 Fr= 1--      0.0047                 0.0680                 4.9726
 Beta2  Fr= 1--      1.1191                 4.5421                 2.4547
 AlphaG Fr= 1--      0.0200                 0.0240                 0.4406
 Gamma2 Fr= 1--     -0.5277                -0.7665                 4.7661
 Delta2 Fr= 1--     -0.1178                 0.2653                 6.1872
 Raman1 Fr= 1--      32.178                139.418                963.800
 ROA1   Fr= 1--     -54.426                -65.092                655.536
 CID1   Fr= 1--      -1.691                 -0.467                  0.680
 Raman2 Fr= 1--      13.430                 54.505                 29.456
 ROA2   Fr= 1--     -11.722                -20.518                 64.888
 CID2   Fr= 1--      -0.873                 -0.376                  2.203
 Raman3 Fr= 1--      26.859                109.010                 58.913
 ROA3   Fr= 1--     -54.426                -65.092                655.536
 CID3   Fr= 1--      -2.026                 -0.597                 11.127
 RC180  Fr= 1--       0.669                  0.564                 -0.878
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.04   0.00     0.03   0.00   0.01     0.01   0.01   0.03
     3   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.01   0.01
     4   1     0.13  -0.05   0.01     0.04   0.02  -0.01    -0.07  -0.14  -0.34
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.05
     6   6     0.00  -0.29  -0.05    -0.21  -0.03  -0.03    -0.00   0.00   0.00
     7   1     0.02  -0.01   0.00    -0.03  -0.00   0.01     0.13   0.28   0.69
     8   1    -0.02  -0.01   0.03    -0.01  -0.00  -0.01     0.13  -0.32  -0.02
     9   1     0.01   0.00  -0.03    -0.00  -0.01   0.04    -0.39  -0.02  -0.08
    10   6     0.09   0.20   0.04     0.28   0.10   0.05    -0.00   0.00   0.00
    11   6     0.09  -0.21  -0.02    -0.27   0.06  -0.02    -0.00   0.00   0.00
    12   6    -0.03   0.36   0.06     0.14   0.00   0.02     0.00  -0.00  -0.00
    13   6    -0.05  -0.20  -0.04    -0.27  -0.08  -0.05     0.00  -0.00  -0.00
    14   6    -0.11   0.17   0.02     0.30  -0.07   0.02    -0.00  -0.00  -0.00
    15   1    -0.32  -0.05  -0.03    -0.28  -0.26  -0.07     0.00  -0.00  -0.00
    16   1    -0.26  -0.05  -0.04     0.25  -0.21  -0.00    -0.00  -0.00  -0.00
    17   1     0.02  -0.49  -0.08     0.15   0.02   0.02    -0.00  -0.00   0.00
    18   1     0.22  -0.05   0.02     0.24   0.25   0.07     0.00   0.00   0.00
    19   1     0.30  -0.03   0.02    -0.33   0.26   0.01     0.01   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3038.2243              3096.6057              3116.6657
 Red. masses --      1.0754                 1.0970                 1.1021
 Frc consts  --      5.8489                 6.1975                 6.3077
 IR Inten    --     19.6066                28.8179                23.8105
 RamAct Fr= 1--     49.4495                98.2850                71.8339
  Dep-P Fr= 1--      0.5417                 0.3114                 0.6945
  Dep-U Fr= 1--      0.7028                 0.4749                 0.8197
 Alpha2 Fr= 1--      0.1979                 0.9739                 0.0697
 Beta2  Fr= 1--      5.7918                 7.7801                 9.8139
 AlphaG Fr= 1--      0.6138                -0.0249                -0.0369
 Gamma2 Fr= 1--      7.0772               -12.0556                -1.4035
 Delta2 Fr= 1--      0.4803                -9.7478                 1.3603
 Raman1 Fr= 1--     197.798                393.140                287.336
 ROA1   Fr= 1--     694.785              -1469.265                -91.209
 CID1   Fr= 1--       3.513                 -3.737                 -0.317
 Raman2 Fr= 1--      69.502                 93.361                117.767
 ROA2   Fr= 1--     166.011               -211.351                -44.568
 CID2   Fr= 1--       2.389                 -2.264                 -0.378
 Raman3 Fr= 1--     139.004                186.721                235.534
 ROA3   Fr= 1--     694.785              -1469.265                -91.209
 CID3   Fr= 1--       4.998                 -7.869                 -0.387
 RC180  Fr= 1--       0.406                 -0.050                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.00  -0.00  -0.00
     3   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1     0.17   0.33   0.82     0.03   0.06   0.16    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.01    -0.04  -0.06  -0.05     0.07  -0.06   0.01
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.03   0.07   0.18     0.10   0.22   0.56     0.02  -0.01   0.01
     8   1     0.10  -0.22  -0.01    -0.20   0.44   0.01    -0.29   0.71   0.03
     9   1    -0.28  -0.01  -0.05     0.59   0.02   0.09    -0.62  -0.04  -0.11
    10   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    19   1    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.03  -0.05  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3160.3657              3169.9116              3179.8401
 Red. masses --      1.0860                 1.0867                 1.0914
 Frc consts  --      6.3905                 6.4339                 6.5021
 IR Inten    --      7.1246                 0.4829                21.5036
 RamAct Fr= 1--     39.3872               107.3410                77.7141
  Dep-P Fr= 1--      0.5291                 0.5839                 0.6702
  Dep-U Fr= 1--      0.6920                 0.7373                 0.8025
 Alpha2 Fr= 1--      0.1686                 0.3336                 0.1101
 Beta2  Fr= 1--      4.5428                13.1897                10.3945
 AlphaG Fr= 1--     -0.1471                -0.0618                -0.1122
 Gamma2 Fr= 1--     -1.0013                 2.9163                -0.2214
 Delta2 Fr= 1--      0.8678                 1.0826                 1.5650
 Raman1 Fr= 1--     157.549                429.364                310.856
 ROA1   Fr= 1--     -68.354                314.604                 28.829
 CID1   Fr= 1--      -0.434                  0.733                  0.093
 Raman2 Fr= 1--      54.514                158.276                124.734
 ROA2   Fr= 1--     -30.974                 61.330                -17.832
 CID2   Fr= 1--      -0.568                  0.387                 -0.143
 Raman3 Fr= 1--     109.027                316.553                249.468
 ROA3   Fr= 1--     -68.354                314.604                 28.829
 CID3   Fr= 1--      -0.627                  0.994                  0.116
 RC180  Fr= 1--       0.384                  0.475                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   1    -0.02   0.06   0.00     0.01  -0.02  -0.00    -0.01   0.02   0.00
     9   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.01   0.02   0.00
    11   6    -0.01  -0.01  -0.00    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01
    12   6     0.02   0.00   0.00     0.04   0.00   0.01    -0.03   0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.05  -0.00
    14   6    -0.03  -0.06  -0.02     0.01   0.03   0.01    -0.02  -0.03  -0.01
    15   1     0.02  -0.04  -0.00     0.11  -0.17  -0.01     0.11  -0.17  -0.01
    16   1     0.07   0.14   0.03     0.31   0.61   0.14     0.23   0.46   0.10
    17   1    -0.23  -0.01  -0.03    -0.53  -0.02  -0.07     0.33   0.01   0.04
    18   1     0.26  -0.41  -0.04     0.08  -0.12  -0.01    -0.36   0.55   0.06
    19   1     0.36   0.72   0.18    -0.17  -0.33  -0.08     0.16   0.32   0.08
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.4005              3201.4134              3780.6753
 Red. masses --      1.0948                 1.0933                 1.0659
 Frc consts  --      6.5738                 6.6019                 8.9763
 IR Inten    --     19.7703                 7.7905                18.7187
 RamAct Fr= 1--    158.2419               197.4141                63.0757
  Dep-P Fr= 1--      0.1250                 0.1058                 0.1379
  Dep-U Fr= 1--      0.2222                 0.1913                 0.2423
 Alpha2 Fr= 1--      2.6048                 3.4077                 1.0054
 Beta2  Fr= 1--      5.8609                 6.2952                 2.5474
 AlphaG Fr= 1--     -0.3477                 0.2987                 1.3445
 Gamma2 Fr= 1--     -2.0089                 2.6619                 8.3689
 Delta2 Fr= 1--     -4.0526                 2.2013                 1.9862
 Raman1 Fr= 1--     632.968                789.656                252.303
 ROA1   Fr= 1--    -322.540                325.983                866.968
 CID1   Fr= 1--      -0.510                  0.413                  3.436
 Raman2 Fr= 1--      70.331                 75.542                 30.569
 ROA2   Fr= 1--     -15.793                 46.275                184.963
 CID2   Fr= 1--      -0.225                  0.613                  6.051
 Raman3 Fr= 1--     140.662                151.084                 61.138
 ROA3   Fr= 1--    -322.540                325.983                866.968
 CID3   Fr= 1--      -2.293                  2.158                 14.181
 RC180  Fr= 1--      -0.556                 -0.617                 -0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.02  -0.06
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.04   0.35   0.93
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.03   0.00     0.04  -0.06  -0.00     0.00  -0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
    12   6    -0.06  -0.00  -0.01    -0.02   0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.02   0.04   0.00    -0.01   0.01   0.00     0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.20  -0.32  -0.02    -0.47   0.73   0.05    -0.00   0.00   0.00
    16   1     0.09   0.19   0.04     0.17   0.34   0.08    -0.00  -0.00  -0.00
    17   1     0.69   0.03   0.08     0.24   0.01   0.03    -0.00   0.00   0.00
    18   1     0.29  -0.45  -0.05     0.07  -0.11  -0.01    -0.00   0.00  -0.00
    19   1    -0.08  -0.16  -0.04    -0.02  -0.04  -0.01     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.958741552.451131940.40871
           X            0.99974   0.02097  -0.00937
           Y           -0.02084   0.99969   0.01351
           Z            0.00965  -0.01331   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16626     0.05579     0.04464
 Rotational constants (GHZ):           3.46427     1.16251     0.93008
 Zero-point vibrational energy     422266.0 (Joules/Mol)
                                  100.92399 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.73   200.80   316.97   367.78   414.19
          (Kelvin)            468.95   571.55   596.61   672.40   761.77
                              883.12   918.20  1027.40  1087.63  1124.16
                             1232.92  1313.72  1327.23  1383.19  1408.10
                             1474.67  1482.82  1514.87  1536.80  1577.94
                             1620.81  1705.04  1735.19  1753.67  1847.91
                             1911.71  1932.26  1956.25  2025.36  2032.74
                             2135.35  2148.23  2148.77  2207.19  2343.77
                             2374.07  4354.40  4371.33  4455.32  4484.19
                             4547.06  4560.80  4575.08  4593.15  4606.12
                             5439.55
 
 Zero-point correction=                           0.160833 (Hartree/Particle)
 Thermal correction to Energy=                    0.169219
 Thermal correction to Enthalpy=                  0.170163
 Thermal correction to Gibbs Free Energy=         0.127253
 Sum of electronic and zero-point Energies=           -386.115055
 Sum of electronic and thermal Energies=              -386.106669
 Sum of electronic and thermal Enthalpies=            -386.105725
 Sum of electronic and thermal Free Energies=         -386.148635
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.186             32.278             90.312
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.841
 Vibrational            104.409             26.316             21.158
 Vibration     1          0.594              1.983              5.759
 Vibration     2          0.615              1.914              2.810
 Vibration     3          0.647              1.810              1.957
 Vibration     4          0.666              1.753              1.691
 Vibration     5          0.685              1.696              1.486
 Vibration     6          0.710              1.624              1.280
 Vibration     7          0.764              1.476              0.973
 Vibration     8          0.778              1.438              0.910
 Vibration     9          0.825              1.322              0.745
 Vibration    10          0.884              1.185              0.588
 Vibration    11          0.973              1.003              0.427
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.293651D-58        -58.532169       -134.775299
 Total V=0       0.279020D+16         15.445635         35.564888
 Vib (Bot)       0.123522D-71        -71.908256       -165.574878
 Vib (Bot)    1  0.665870D+01          0.823390          1.895925
 Vib (Bot)    2  0.145713D+01          0.163497          0.376467
 Vib (Bot)    3  0.897731D+00         -0.046854         -0.107884
 Vib (Bot)    4  0.761462D+00         -0.118352         -0.272515
 Vib (Bot)    5  0.665051D+00         -0.177145         -0.407892
 Vib (Bot)    6  0.574685D+00         -0.240570         -0.553933
 Vib (Bot)    7  0.449581D+00         -0.347192         -0.799440
 Vib (Bot)    8  0.425172D+00         -0.371436         -0.855262
 Vib (Bot)    9  0.361728D+00         -0.441618         -1.016863
 Vib (Bot)   10  0.302216D+00         -0.519682         -1.196613
 Vib (Bot)   11  0.239811D+00         -0.620130         -1.427903
 Vib (V=0)       0.117367D+03          2.069548          4.765310
 Vib (V=0)    1  0.717745D+01          0.855970          1.970944
 Vib (V=0)    2  0.204053D+01          0.309742          0.713207
 Vib (V=0)    3  0.152758D+01          0.184004          0.423685
 Vib (V=0)    4  0.141095D+01          0.149511          0.344261
 Vib (V=0)    5  0.133204D+01          0.124518          0.286712
 Vib (V=0)    6  0.126175D+01          0.100973          0.232500
 Vib (V=0)    7  0.117240D+01          0.069076          0.159054
 Vib (V=0)    8  0.115633D+01          0.063082          0.145252
 Vib (V=0)    9  0.111713D+01          0.048103          0.110761
 Vib (V=0)   10  0.108424D+01          0.035125          0.080878
 Vib (V=0)   11  0.105454D+01          0.023061          0.053100
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448438D+06          5.651703         13.013527
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333 33                                             11 1111111111111111111                                  
     7                2111110 00                                             66 54444433322211000009999 8 77 7 66  5 443  3222  1    
     8                0987619 32                                             52 39981064281082965327621 5 85 1 31  2 619  2852  4  3 
     1                1200077 86                                             09 43343803949657783159123 7 16 4 84  9 757  6860  0  1 
 
     X                XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX  X XXX  XXXX  X  X 
     X                 XX  XX XX                                                XX XX   X X  XXXXX    X   XX X     X       X         
     X                 XX  XX X                                                     X     X  XX XX        XX X     X       X         
                           XX                                                       X        XX XX           X             X         
                            X                                                       X        XX  X           X             X         
                                                                                    X                        X             X         
                                                                                    X                                      X         
                                                                                                                           X         
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                                                                                                                           X         
                                                                                                                           X         
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003977    0.000004629   -0.000001523
      2        6           0.000011934   -0.000010061   -0.000005846
      3        1           0.000000818   -0.000001981    0.000000317
      4        1          -0.000003004    0.000000651    0.000000631
      5        6          -0.000002483   -0.000000322    0.000005709
      6        6          -0.000002629    0.000003240    0.000004686
      7        1           0.000000722    0.000000557   -0.000001050
      8        1           0.000003061    0.000000745   -0.000000752
      9        1           0.000000724    0.000000788    0.000000622
     10        6           0.000012685    0.000005202    0.000005888
     11        6          -0.000013367    0.000002205   -0.000001977
     12        6          -0.000000073   -0.000012869   -0.000002348
     13        6           0.000010194    0.000006624    0.000002206
     14        6          -0.000013060    0.000004238   -0.000000216
     15        1          -0.000000491   -0.000002145   -0.000004862
     16        1           0.000002634   -0.000000488   -0.000000521
     17        1           0.000000174    0.000002285   -0.000000152
     18        1          -0.000002035   -0.000000934   -0.000000282
     19        1          -0.000001829   -0.000002364   -0.000000529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013367 RMS     0.000004960
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130610D+03  0.153281D+01  0.199080D+01
      2   0.153281D+01  0.108459D+03  0.523820D+01
      3   0.199080D+01  0.523820D+01  0.720904D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.774086D+00  0.683549D+00  0.719340D+01
      2   0.100531D+02  0.927024D+01 -0.140996D+01
      3  -0.594092D+01 -0.396977D+02 -0.885042D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.941251D+02  0.524477D+01  0.745679D+01
      2  -0.417200D+02 -0.141693D+02 -0.134368D+02
      3  -0.524052D+02  0.892453D+01  0.598002D+01
      4  -0.273163D+02  0.705349D+02  0.221453D+02
      5   0.283574D+02  0.235480D+02 -0.694071D+01
      6   0.871887D+01  0.108842D+02 -0.156608D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.298387D+01  0.221483D+01 -0.665361D+00  0.102755D+01 -0.213681D+01
      2   0.221483D+01 -0.131934D+01  0.112024D+01 -0.213681D+01  0.225835D+01
      3  -0.665361D+00  0.112024D+01  0.703241D-01  0.138946D+01 -0.231578D+01
                 6             7             8             9            10 
      1   0.138946D+01 -0.209003D+01  0.146254D+01 -0.449516D+00  0.445658D+01
      2  -0.231578D+01  0.146254D+01 -0.287330D+01 -0.702958D+00  0.184394D+01
      3  -0.173174D+01 -0.449516D+00 -0.702958D+00 -0.470866D+01  0.177345D+00
                11            12            13            14            15 
      1   0.184394D+01  0.177345D+00  0.617286D+01  0.366786D+01 -0.131603D+01
      2   0.170198D+01 -0.110302D+01  0.366786D+01  0.142120D+00  0.825698D+00
      3  -0.110302D+01  0.123515D+01 -0.131603D+01  0.825698D+00  0.426491D+01
                16            17            18            19            20 
      1  -0.509276D-01 -0.137696D+01  0.367087D+01 -0.567065D+00  0.450857D+00
      2  -0.137696D+01 -0.340563D+00  0.328910D+01  0.450857D+00 -0.552611D+00
      3   0.367087D+01  0.328910D+01  0.533593D+01  0.253567D+00 -0.266788D+00
                21            22            23            24            25 
      1   0.253567D+00  0.133624D+01 -0.878639D+00 -0.513709D+00  0.221096D+01
      2  -0.266788D+00 -0.878639D+00  0.240186D+01  0.107970D+01 -0.113168D+01
      3  -0.524305D+00 -0.513709D+00  0.107970D+01  0.178645D+01 -0.129024D+01
                26            27            28            29            30 
      1  -0.113168D+01 -0.129024D+01 -0.198456D+01 -0.716093D+00 -0.159251D+01
      2   0.295366D+01  0.215596D+01 -0.716093D+00 -0.614591D+00 -0.187835D+00
      3   0.215596D+01  0.435877D+01 -0.159251D+01 -0.187835D+00 -0.145330D+01
                31            32            33            34            35 
      1  -0.272673D+01 -0.159096D+01 -0.578847D+00 -0.418123D+01 -0.577571D+00
      2  -0.159096D+01 -0.124652D+01 -0.143079D+01 -0.577571D+00 -0.162369D+01
      3  -0.578847D+00 -0.143079D+01 -0.232965D+01 -0.283631D+01 -0.182582D+01
                36            37            38            39            40 
      1  -0.283631D+01  0.811969D+01  0.764694D+00  0.153436D+01 -0.263031D+01
      2  -0.182582D+01  0.764694D+00 -0.279570D+01  0.830571D+00 -0.337165D+01
      3  -0.743651D+01  0.153436D+01  0.830571D+00 -0.158599D+01  0.144091D+01
                41            42            43            44            45 
      1  -0.337165D+01  0.144091D+01  0.483613D+01  0.204639D+01 -0.188972D+01
      2   0.312064D+01  0.294699D+00  0.204639D+01  0.759110D+00 -0.282849D+01
      3   0.294699D+00 -0.308846D+01 -0.188972D+01 -0.282849D+01 -0.465679D+01
                46            47            48            49            50 
      1  -0.172270D+02 -0.247408D+01 -0.606363D+00 -0.329530D+01  0.183373D+01
      2  -0.247408D+01 -0.258012D+01 -0.100681D+00  0.183373D+01 -0.157442D+00
      3  -0.606363D+00 -0.100681D+00 -0.193382D+01  0.101727D+01  0.201841D-01
                51            52            53            54            55 
      1   0.101727D+01 -0.692790D+00  0.873475D+00 -0.371407D+01 -0.327721D+00
      2   0.201841D-01  0.873475D+00 -0.649007D-01 -0.573353D+00  0.161014D+00
      3  -0.457466D+00 -0.371407D+01 -0.573353D+00 -0.154563D+01  0.521028D+00
                56            57            58            59            60 
      1   0.161014D+00  0.521028D+00  0.109411D+01  0.153326D+00 -0.545947D+00
      2   0.633658D+00 -0.120623D+00  0.153326D+00  0.527805D+00  0.101021D+01
      3  -0.120623D+00  0.110517D+01 -0.545947D+00  0.101021D+01  0.230973D+01
                61            62            63            64            65 
      1   0.133566D+01  0.103355D+00 -0.692044D+00  0.769193D+00 -0.733517D+00
      2   0.103355D+00  0.154863D+01  0.639167D+00 -0.733517D+00  0.169328D+01
      3  -0.692044D+00  0.639167D+00  0.717445D+01 -0.331512D+00 -0.385167D+00
                66            67            68            69            70 
      1  -0.331512D+00 -0.200251D+01  0.393346D+00  0.162258D+00 -0.635165D+00
      2  -0.385167D+00  0.393346D+00 -0.739280D+01  0.673671D+00 -0.282601D+00
      3   0.645806D+00  0.162258D+00  0.673671D+00 -0.121046D+01  0.184679D+00
                71            72            73            74            75 
      1  -0.282601D+00  0.184679D+00 -0.132421D+02 -0.226234D+01  0.136304D+00
      2   0.243577D+00 -0.677821D+00 -0.226234D+01 -0.148645D+01  0.142683D+00
      3  -0.677821D+00  0.617160D+00  0.136304D+00  0.142683D+00 -0.134584D+01
                76            77            78            79            80 
      1  -0.501727D+00 -0.107672D+01 -0.192534D+00 -0.227781D+01 -0.479220D+00
      2  -0.107672D+01 -0.866774D+00 -0.443108D-01 -0.479220D+00 -0.571711D+00
      3  -0.192534D+00 -0.443108D-01  0.239515D+00 -0.978880D+00  0.576281D-01
                81            82            83            84            85 
      1  -0.978880D+00  0.449991D+01 -0.905307D+00  0.365123D+00  0.772909D+01
      2   0.576281D-01 -0.905307D+00 -0.323494D+01 -0.878951D+00  0.109360D+00
      3  -0.200663D-01  0.365123D+00 -0.878951D+00 -0.196995D+01  0.778863D-01
                86            87            88            89            90 
      1   0.109360D+00  0.778863D-01  0.258710D+01 -0.259208D+00 -0.176111D+01
      2   0.162598D+01 -0.452312D+00 -0.259208D+00 -0.116288D+01  0.344009D+01
      3  -0.452312D+00  0.180480D+01 -0.176111D+01  0.344009D+01  0.843248D+00
                91            92            93            94            95 
      1  -0.343551D+01 -0.160376D+00 -0.540897D+00  0.514415D+01 -0.185541D-01
      2  -0.160376D+00  0.291386D+01 -0.264988D+00 -0.185541D-01  0.114254D+01
      3  -0.540897D+00 -0.264988D+00  0.991871D+00 -0.180169D+00 -0.848462D+00
                96            97            98            99           100 
      1  -0.180169D+00  0.167064D+00 -0.980380D+00  0.216973D+01  0.580457D+01
      2  -0.848462D+00 -0.980380D+00 -0.791650D+00  0.386193D+01  0.319055D+00
      3   0.205352D+01  0.216973D+01  0.386193D+01  0.233928D+01 -0.646454D+00
               101           102           103           104           105 
      1   0.319055D+00 -0.646454D+00  0.823212D+00 -0.753975D+00 -0.114473D+01
      2   0.312445D+01  0.271445D-01 -0.753975D+00 -0.775182D-01 -0.347432D+00
      3   0.271445D-01  0.279673D+01 -0.114473D+01 -0.347432D+00 -0.873719D-01
               106           107           108           109           110 
      1  -0.318484D+00 -0.107248D+01  0.527466D+01 -0.260046D+01 -0.216738D+00
      2  -0.107248D+01  0.327642D+00  0.748134D-01 -0.216738D+00  0.262306D+01
      3   0.527466D+01  0.748134D-01  0.131300D+01 -0.479709D+00  0.834373D+00
               111           112           113           114           115 
      1  -0.479709D+00 -0.562205D+01 -0.441911D+00 -0.817458D+00 -0.195315D+01
      2   0.834373D+00 -0.441911D+00 -0.878204D+00  0.980178D+00 -0.169965D+00
      3   0.154056D+01 -0.817458D+00  0.980178D+00 -0.215840D+01  0.280403D+01
               116           117           118           119           120 
      1  -0.169965D+00  0.280403D+01  0.385642D+01  0.176093D+01  0.587474D+00
      2   0.147584D+01 -0.338583D+01  0.176093D+01 -0.298681D+01  0.112635D+00
      3  -0.338583D+01 -0.113727D+01  0.587474D+00  0.112635D+00 -0.123615D+01
               121           122           123           124           125 
      1  -0.653160D+01 -0.770576D+00  0.254120D+00 -0.548320D-01  0.921648D+00
      2  -0.770576D+00 -0.146059D+01  0.894889D+00  0.921648D+00  0.517950D+00
      3   0.254120D+00  0.894889D+00 -0.132829D+01 -0.932497D+00 -0.325649D+01
               126           127           128           129           130 
      1  -0.932497D+00 -0.293507D+01  0.202844D+01  0.339542D-02  0.239095D+01
      2  -0.325649D+01  0.202844D+01 -0.257278D+01 -0.974863D-01 -0.270865D+01
      3  -0.226698D+01  0.339542D-02 -0.974863D-01 -0.237914D+00 -0.246598D+00
               131           132           133           134           135 
      1  -0.270865D+01 -0.246598D+00 -0.288474D+00 -0.393706D-01  0.866690D-01
      2   0.698356D+01  0.432044D+00 -0.393706D-01  0.453936D+00  0.111855D+00
      3   0.432044D+00  0.849897D+00  0.866690D-01  0.111855D+00 -0.480069D-01
               136           137           138           139           140 
      1   0.287746D+01  0.293719D+01  0.712780D+00  0.280279D+01  0.402860D+01
      2   0.293719D+01  0.317982D+01  0.716972D+00  0.402860D+01  0.862193D+01
      3   0.712780D+00  0.716972D+00  0.639293D+00  0.804730D+00  0.159488D+01
               141           142           143           144           145 
      1   0.804730D+00  0.759585D+00  0.982795D+00  0.287105D+00  0.130593D+02
      2   0.159488D+01  0.982795D+00  0.178498D+01  0.360890D+00  0.374313D+00
      3   0.124259D+01  0.287105D+00  0.360890D+00  0.277959D+00  0.129993D+01
               146           147           148           149           150 
      1   0.374313D+00  0.129993D+01  0.278012D+00  0.154422D+01  0.313027D+00
      2   0.883770D+00  0.113958D-01  0.154422D+01  0.139468D+00  0.162876D+00
      3   0.113958D-01  0.114854D+01  0.313027D+00  0.162876D+00  0.955387D-01
               151           152           153           154           155 
      1   0.151970D+01  0.339912D+00  0.124267D+00  0.401114D+01 -0.348414D+01
      2   0.339912D+00  0.108834D+00  0.222900D-01 -0.348414D+01  0.355111D+01
      3   0.124267D+00  0.222900D-01  0.155024D+00 -0.319184D+00  0.247845D+00
               156           157           158           159           160 
      1  -0.319184D+00 -0.345146D+01  0.439521D+01  0.601755D+00 -0.212232D+00
      2   0.247845D+00  0.439521D+01 -0.752558D+01 -0.849343D+00  0.399134D+00
      3   0.579371D+00  0.601755D+00 -0.849343D+00 -0.968790D+00  0.992843D-01
               161           162           163           164           165 
      1   0.399134D+00  0.992843D-01 -0.215089D+01 -0.190267D+01 -0.409324D+00
      2  -0.978580D+00 -0.223119D+00 -0.190267D+01 -0.216163D+01 -0.638318D+00
      3  -0.223119D+00 -0.150572D+00 -0.409324D+00 -0.638318D+00 -0.465560D+00
               166           167           168           169           170 
      1  -0.203726D+01 -0.237721D+01 -0.525400D+00 -0.661081D+00 -0.759818D+00
      2  -0.237721D+01 -0.735883D+01 -0.168060D+01 -0.759818D+00 -0.176688D+01
      3  -0.525400D+00 -0.168060D+01 -0.128631D+01 -0.156902D+00 -0.539838D+00
               171 
      1  -0.156902D+00
      2  -0.539838D+00
      3  -0.444336D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.287098D+00 -0.516094D+00  0.771491D+00 -0.345669D+00 -0.761053D-01
      2  -0.817367D+00 -0.507583D+00  0.468302D+01 -0.115143D+01  0.427773D+01
      3   0.262236D+01 -0.920267D+01  0.153773D+01  0.207312D+01  0.652830D+01
                 6             7             8             9            10 
      1  -0.698370D+00 -0.444332D+01  0.654150D+01  0.823724D+01 -0.233327D+01
      2   0.334893D+01 -0.105810D+01  0.401565D+01  0.113711D+02  0.110718D+01
      3  -0.538149D+01 -0.616835D+00 -0.642212D+01 -0.243515D+01  0.722640D+01
                11            12            13            14            15 
      1   0.963998D-01  0.829067D+00 -0.983958D+00 -0.391638D+00  0.566074D+00
      2   0.166605D+01 -0.123064D+01  0.428160D+01  0.476948D+00 -0.638185D+01
      3   0.230520D+01 -0.344411D+00  0.122513D+02 -0.691597D+01  0.164894D+01
                16            17            18            19            20 
      1   0.424640D+01  0.501666D+01 -0.723781D+00 -0.293719D+00  0.429840D+00
      2  -0.142038D+02 -0.710141D+01 -0.816235D+01 -0.183353D+01  0.842981D+00
      3  -0.517251D+00 -0.152497D+01  0.626280D+01  0.253143D+01 -0.501591D+00
                21            22            23            24            25 
      1   0.547908D+00  0.111695D+01 -0.299575D+01 -0.413914D+01  0.321668D+01
      2   0.125165D+01  0.818564D+00 -0.323943D+01 -0.480026D+01  0.568746D+00
      3  -0.282351D+00  0.706035D+00  0.489124D+01  0.267745D+01  0.515569D+00
                26            27            28            29            30 
      1  -0.275101D+01 -0.910982D+01 -0.681544D+00  0.114652D+01 -0.616773D+00
      2  -0.615653D+01 -0.112281D+02  0.159497D+01  0.337116D+00  0.299726D+01
      3   0.751763D+01  0.511710D+01 -0.168967D+01 -0.348850D+01 -0.285380D+00
                31            32            33            34            35 
      1   0.116755D+01  0.764939D+00 -0.101248D+01 -0.110385D+01  0.240557D+01
      2  -0.559129D+00  0.127906D+01  0.420001D+01  0.115817D+01  0.286587D+01
      3  -0.169306D+01 -0.128253D+01 -0.297424D+01  0.301697D-01 -0.319039D+01
                36            37            38            39            40 
      1  -0.127195D+01  0.395287D+01 -0.217049D+01 -0.239253D+01  0.319224D+00
      2   0.120205D+02 -0.112862D+02 -0.377007D+01  0.652991D+01 -0.540019D+01
      3  -0.365178D+01 -0.778528D+01 -0.134374D+02  0.408986D-02 -0.793994D+01
                41            42            43            44            45 
      1   0.687606D+01 -0.670960D+01 -0.119762D+01 -0.277623D+01 -0.702259D+01
      2   0.369802D+00  0.733534D+01  0.148597D+01  0.707922D+01  0.131395D+02
      3   0.164779D+02 -0.382262D+00  0.172620D+01 -0.115637D+01 -0.635549D+01
                46            47            48            49            50 
      1   0.944845D+00 -0.974886D+00 -0.422560D+00 -0.335294D+01 -0.168682D+01
      2  -0.185081D-01 -0.184927D+01 -0.126364D+01 -0.149140D+01  0.604313D+00
      3  -0.774281D+01  0.613350D+01  0.670790D+00  0.156777D+02 -0.351173D-01
                51            52            53            54            55 
      1   0.128523D+01  0.119641D+01  0.105117D+02  0.213311D+01  0.856583D+00
      2   0.985500D+00 -0.129950D+02  0.762374D+00 -0.117926D+00 -0.175543D+01
      3   0.348601D+00 -0.450772D+00  0.225989D+01 -0.115406D+01  0.854442D+00
                56            57            58            59            60 
      1   0.113129D+01  0.961674D+00  0.174073D+00  0.250952D+01  0.197962D+01
      2  -0.206650D-01 -0.246266D+01 -0.239639D+00 -0.272529D+01 -0.571134D+01
      3   0.121077D+01 -0.699759D+00  0.122361D+01  0.113800D+01  0.264612D+01
                61            62            63            64            65 
      1  -0.508969D+00  0.530252D+01  0.942963D+01 -0.195672D+01  0.153062D+01
      2  -0.262432D+01 -0.238062D+01 -0.178275D+02 -0.288195D+00  0.116239D+01
      3  -0.113993D+01  0.424245D+01  0.260016D+01 -0.659125D+01  0.585424D+01
                66            67            68            69            70 
      1   0.169867D+01  0.139697D+01 -0.554134D+01 -0.319980D+01  0.700675D+00
      2  -0.985419D+00  0.126271D+01 -0.252293D+01  0.227722D+01 -0.147321D+01
      3   0.280291D+00  0.812647D+01 -0.203696D+02  0.132546D+01  0.109345D+01
                71            72            73            74            75 
      1   0.511334D+00  0.322555D+00 -0.420969D+00 -0.942051D+00 -0.199584D+01
      2   0.119848D+01 -0.135957D+01  0.717634D+01  0.760795D+00  0.685264D+01
      3   0.628567D+00 -0.228884D+01  0.887875D+01 -0.522137D+01  0.420366D+00
                76            77            78            79            80 
      1  -0.539572D+00 -0.588814D+00 -0.401560D+00 -0.114694D+01  0.748217D+00
      2   0.113305D+01  0.443266D+00 -0.447212D+00  0.199100D+01 -0.433186D+00
      3  -0.384915D+00 -0.183380D+01 -0.204284D+00  0.248538D+00 -0.106561D+01
                81            82            83            84            85 
      1   0.563211D-01 -0.128137D+01 -0.946449D-01  0.298246D+01 -0.919295D+00
      2   0.502511D+00  0.247639D+01 -0.141806D+00 -0.991043D+00  0.333558D+01
      3   0.152198D+01  0.663598D+01 -0.553586D+00  0.179562D+01  0.600456D+01
                86            87            88            89            90 
      1  -0.148903D-01 -0.244861D+01  0.541263D+01  0.236413D+01  0.150261D+00
      2   0.117454D+01  0.564799D+00 -0.125099D+02  0.189817D+00 -0.354487D+00
      3  -0.566710D+01  0.261596D+00  0.184194D+01 -0.441976D+00 -0.512505D+01
                91            92            93            94            95 
      1   0.130543D+01  0.565967D+00 -0.191639D+01  0.879873D+00  0.359462D-01
      2  -0.140398D+00  0.121470D+01 -0.507633D-01  0.925999D+00 -0.276888D+01
      3  -0.326516D+01 -0.997165D+01 -0.202565D+01  0.533029D+01 -0.230869D+01
                96            97            98            99           100 
      1  -0.289265D+01 -0.547451D+01  0.175817D+01 -0.115331D+01  0.137813D+00
      2   0.592789D+01 -0.750678D+01  0.959468D+01  0.343507D+01 -0.285898D+00
      3   0.171931D+01 -0.208885D+00  0.109106D+01 -0.516515D+01  0.607216D+00
               101           102           103           104           105 
      1  -0.865295D+00 -0.602576D+00 -0.113729D+01 -0.276537D+01  0.240703D+01
      2  -0.170299D+00  0.807150D+01 -0.348756D+01 -0.152863D+00 -0.625811D+00
      3  -0.725710D+01  0.210128D+00  0.114031D+02  0.340926D+01  0.186018D+01
               106           107           108           109           110 
      1  -0.901446D+00  0.111421D+02  0.239977D+01 -0.123498D+01 -0.191250D+00
      2   0.819597D+01  0.412290D+00  0.273446D+01 -0.562080D+00  0.245480D+01
      3   0.334934D+01  0.137799D+01  0.101280D+01 -0.188726D+01 -0.131332D+02
               111           112           113           114           115 
      1   0.279381D+01 -0.141568D+01  0.384799D+00 -0.240452D+01  0.661319D+01
      2   0.195611D+01 -0.814780D+00  0.303848D+01 -0.555999D+01 -0.549263D+01
      3  -0.228820D+01  0.447138D+01 -0.114094D+01 -0.208208D+01 -0.225557D+00
               116           117           118           119           120 
      1   0.276281D+01  0.107387D+01  0.266627D+00  0.105016D+01 -0.251405D+01
      2  -0.100309D+02 -0.361126D+01  0.329108D+01  0.152263D+01 -0.111671D+01
      3  -0.442737D+01  0.391201D+01  0.452650D+00 -0.111713D+01 -0.191342D+01
               121           122           123           124           125 
      1   0.135777D+01 -0.824709D+00 -0.243273D+01 -0.553865D+01  0.215958D+01
      2   0.128629D+01 -0.150013D+01 -0.134783D+01 -0.131622D+02 -0.107132D+01
      3   0.433707D+00  0.784905D+01  0.132566D+00 -0.434976D+01 -0.889415D-02
               126           127           128           129           130 
      1  -0.744730D+00  0.420661D+00 -0.412093D+00  0.169070D+01  0.304996D+00
      2  -0.254496D+01  0.127957D+01 -0.333841D+00  0.122450D+00 -0.457111D+00
      3   0.572282D+01 -0.954860D+01  0.384548D+01 -0.239752D-01  0.778465D+01
               131           132           133           134           135 
      1  -0.309290D-01 -0.357053D+01 -0.530217D+00  0.192979D+01  0.233669D+00
      2   0.924415D+00 -0.799390D+00 -0.165751D+01  0.422568D+00 -0.929309D-01
      3  -0.642404D+01 -0.808742D+00 -0.639567D+00  0.911075D-01  0.316670D-01
               136           137           138           139           140 
      1  -0.204986D+00  0.249739D-01 -0.205246D+01 -0.876297D-01  0.552146D+00
      2   0.541792D+00  0.871665D+00  0.222628D+01  0.635120D+00  0.252472D+01
      3  -0.103069D+01 -0.349934D+01 -0.568822D+00 -0.176535D+01 -0.129679D+02
               141           142           143           144           145 
      1  -0.424934D+01  0.610670D+00  0.200240D+01 -0.558384D+00 -0.871769D-01
      2   0.365987D+01 -0.593693D+00 -0.118971D+00  0.647195D+00  0.183386D+01
      3  -0.217275D+01 -0.365069D+00 -0.248675D+01 -0.328106D+00  0.169408D+00
               146           147           148           149           150 
      1   0.457817D+00 -0.216161D+00  0.219841D+00 -0.250997D-01 -0.346531D+00
      2  -0.128436D+00  0.676924D+01  0.120796D+01  0.326548D+00  0.395956D+00
      3  -0.558222D+01  0.203711D+00 -0.357765D+01 -0.260976D+00 -0.381132D+00
               151           152           153           154           155 
      1   0.413363D-01  0.579857D+00  0.111338D-01  0.251021D+00 -0.611200D+00
      2  -0.266153D+01  0.507675D-01  0.620248D+00  0.299185D+00 -0.336521D+00
      3  -0.121852D+01 -0.590728D+00 -0.245103D+00  0.114472D+01 -0.468318D+01
               156           157           158           159           160 
      1   0.220029D+01  0.230937D+00  0.215629D+00 -0.386429D+01 -0.791502D+00
      2   0.247924D+01  0.413056D+00 -0.907681D+00 -0.343051D+01 -0.775399D+00
      3  -0.393328D-01 -0.272308D+01  0.119622D+02  0.962452D+00 -0.693345D+00
               161           162           163           164           165 
      1   0.163904D+01 -0.298885D+00  0.645986D+00  0.344405D+00 -0.174673D+01
      2   0.514000D+00 -0.328815D+00 -0.161744D+01 -0.955589D+00  0.206709D+00
      3   0.187951D+01  0.262475D+00  0.765042D+01  0.406998D+01  0.729853D+00
               166           167           168           169           170 
      1   0.618489D+00  0.983377D+00 -0.391293D+01  0.365973D+00  0.238168D+01
      2  -0.169869D+01 -0.162263D+01  0.408672D+00 -0.198981D+01 -0.578882D+00
      3   0.790204D+01  0.771688D+01  0.179993D+01  0.162029D+01  0.222700D+01
               171 
      1  -0.545389D+00
      2   0.161627D+00
      3   0.304906D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.205914D+02 -0.404075D+01  0.253898D+01 -0.782076D+01  0.180343D+01
      2  -0.863124D+01 -0.130895D+01 -0.858200D+00  0.477891D-01  0.913169D+01
      3  -0.119601D+02  0.534970D+01 -0.168078D+01  0.777297D+01 -0.109351D+02
      4  -0.155531D+02  0.182396D+02 -0.609856D+01  0.214678D+02 -0.177652D+02
      5   0.493913D+01 -0.554876D+01  0.850618D+01 -0.920506D+01  0.116501D+02
      6  -0.272513D+01  0.219361D+01 -0.278674D+01  0.383727D+01 -0.913781D+01
                 6             7             8             9            10 
      1   0.536979D+00  0.416504D+01  0.236524D+01  0.144416D+01  0.931501D+01
      2  -0.280380D+01 -0.266606D+01 -0.473293D+01 -0.701863D+01 -0.243661D+01
      3   0.226682D+01 -0.149899D+01  0.236769D+01  0.557447D+01 -0.687840D+01
      4   0.118547D+02 -0.986905D+01  0.143815D+02  0.332015D+01 -0.680987D+01
      5   0.497780D+01  0.733705D+01  0.304717D+01  0.232297D+02 -0.663354D+00
      6   0.406519D+01  0.112746D+01  0.438088D+00 -0.133606D+02  0.149638D+01
                11            12            13            14            15 
      1   0.150732D+01 -0.204221D+01  0.492008D+01 -0.709787D+01  0.398787D+01
      2   0.120613D+01  0.981613D+00  0.304438D+01  0.355117D+01 -0.864559D+00
      3  -0.271345D+01  0.106060D+01 -0.796446D+01  0.354670D+01 -0.312331D+01
      4  -0.154678D+02  0.399947D+01 -0.258950D+02  0.361246D+01 -0.331208D+01
      5   0.450247D+01 -0.111356D+02  0.102003D+02 -0.326768D+01 -0.158649D+02
      6   0.241755D+01 -0.200996D+01  0.112936D+01  0.526903D+01 -0.930301D+01
                16            17            18            19            20 
      1   0.130928D+02  0.406808D+01 -0.430788D+00  0.334326D+01 -0.320904D+01
      2   0.123793D+01  0.347793D+01  0.823332D+01 -0.155170D+01  0.920607D+00
      3  -0.143307D+02 -0.754600D+01 -0.780253D+01 -0.179156D+01  0.228843D+01
      4   0.104220D+02  0.382931D+01 -0.173341D+02 -0.406719D+01  0.238229D+01
      5  -0.197219D+02 -0.159652D+02 -0.214004D+02 -0.182837D+01  0.186582D+01
      6  -0.104411D+02 -0.386580D+01 -0.440153D+01  0.118627D+01 -0.164092D+00
                21            22            23            24            25 
      1  -0.209571D+01 -0.441720D+01 -0.308277D+01 -0.125839D+01 -0.582425D+01
      2   0.259015D+00  0.707420D+00  0.582353D+01  0.292289D+01  0.274151D+01
      3   0.183669D+01  0.370978D+01 -0.274076D+01 -0.166451D+01  0.308274D+01
      4   0.239172D+01  0.645684D+01 -0.111212D+02 -0.573804D+01  0.814942D+01
      5   0.262748D+01  0.285371D+01 -0.526205D+01 -0.832713D+01  0.739391D+01
      6  -0.773028D+00 -0.168443D+01  0.460811D+01  0.721266D+01 -0.402174D+01
                26            27            28            29            30 
      1  -0.128510D+01 -0.279644D+01  0.488959D+01  0.117691D+01  0.405027D+01
      2   0.358699D+01  0.179722D+01 -0.616889D+01 -0.112037D+01 -0.440821D+01
      3  -0.230190D+01  0.999224D+00  0.127930D+01 -0.565449D-01  0.357941D+00
      4  -0.141013D+02 -0.106990D+02  0.432479D+01  0.647854D+01  0.211445D+01
      5  -0.103283D+02 -0.203602D+02  0.937501D+01  0.211031D+01  0.124735D+02
      6   0.865084D+01  0.128032D+02  0.250502D+01  0.158381D+00  0.167783D+01
                31            32            33            34            35 
      1   0.133551D+01 -0.241174D+01 -0.329853D+01  0.273324D+01 -0.296502D+01
      2  -0.262479D+01 -0.474525D-01 -0.430472D+00 -0.827318D+01 -0.216881D+01
      3   0.128928D+01  0.245919D+01  0.372900D+01  0.553994D+01  0.513383D+01
      4   0.962592D+01  0.576463D+01  0.648728D+01  0.357639D+01  0.716688D+01
      5   0.350401D+01  0.612564D+01  0.997081D+01  0.182578D+02  0.810986D+01
      6   0.248919D+01  0.476325D+01  0.905579D+01  0.500727D+01  0.668848D+01
                36            37            38            39            40 
      1  -0.106419D+02 -0.540865D+02 -0.153657D+02 -0.117819D+01 -0.684224D+01
      2  -0.140624D+02  0.226245D+02  0.142220D+02  0.355548D+01  0.592045D+01
      3   0.247043D+02  0.314619D+02  0.114375D+01 -0.237730D+01  0.921791D+00
      4   0.842075D+01 -0.163284D+02  0.126016D+02 -0.461679D+01  0.174513D+02
      5   0.314914D+02 -0.248526D+01 -0.228663D+01  0.104429D+02 -0.766255D+01
      6   0.103712D+02 -0.434340D+01 -0.607925D+01  0.396979D+01 -0.570234D+01
                41            42            43            44            45 
      1   0.197240D+02  0.243555D+01 -0.120706D+02 -0.497368D-01  0.119832D+02
      2  -0.211260D+02  0.619909D+01  0.572135D+01  0.360486D+01  0.782835D+01
      3   0.140201D+01 -0.863463D+01  0.634922D+01 -0.355512D+01 -0.198116D+02
      4  -0.814894D+01 -0.213360D+01 -0.146196D+02 -0.371479D+01  0.181677D+02
      5  -0.525752D+01  0.146409D+02  0.140029D+02  0.150166D+02  0.177329D+02
      6  -0.544997D+00  0.640031D+01  0.782270D+01  0.622114D+01 -0.143883D+01
                46            47            48            49            50 
      1  -0.182746D+02  0.157528D-01  0.294246D+00  0.555943D+00 -0.651453D+01
      2   0.550406D+01 -0.220758D+00 -0.448838D+00 -0.157201D+01  0.124058D+02
      3   0.127705D+02  0.205005D+00  0.154592D+00  0.101607D+01 -0.589126D+01
      4   0.117442D+02  0.428061D+01  0.582753D+00 -0.947236D+01 -0.208283D+01
      5  -0.393291D+00  0.911320D-01  0.273263D+00 -0.345060D+01 -0.533607D+00
      6  -0.925476D+00  0.721452D-01 -0.316957D+00 -0.191493D+01  0.265553D+01
                51            52            53            54            55 
      1  -0.148009D-01 -0.737483D+01 -0.885645D+00 -0.916646D+01  0.382353D+01
      2   0.407736D+01  0.134835D+01  0.135432D+01 -0.351644D+01 -0.373386D+01
      3  -0.406256D+01  0.602648D+01 -0.468671D+00  0.126829D+02 -0.896693D-01
      4  -0.115686D+01 -0.293481D+01 -0.203708D+01  0.293431D+01  0.586847D+00
      5   0.197438D+01  0.392949D+01  0.230354D+01  0.254017D+00 -0.205777D+01
      6  -0.267020D+01 -0.112105D+01  0.585837D+01 -0.243421D+01  0.267315D+00
                56            57            58            59            60 
      1   0.948027D+00 -0.590885D+01 -0.264333D+01 -0.438835D+01 -0.252293D+01
      2  -0.136250D+01  0.405218D+00  0.233242D+01  0.110299D+01 -0.554066D+01
      3   0.414474D+00  0.550363D+01  0.310909D+00  0.328536D+01  0.806359D+01
      4  -0.220806D+01 -0.348613D+00 -0.101727D+00 -0.353825D+01 -0.500240D+01
      5   0.895635D+00 -0.176459D+00  0.441413D+01 -0.375714D+01 -0.103553D+02
      6   0.182891D+01 -0.106457D+01 -0.144509D+00  0.230128D+01  0.338372D+01
                61            62            63            64            65 
      1  -0.643139D+01 -0.662328D+00 -0.161116D+02 -0.154691D+01  0.888779D+01
      2   0.479251D+01 -0.416262D+01 -0.170097D+02  0.398770D+01 -0.973763D+01
      3   0.163888D+01  0.482495D+01  0.331213D+02 -0.244078D+01  0.849839D+00
      4  -0.235491D+01 -0.795518D+01 -0.538292D+01  0.688547D+00 -0.318524D+01
      5   0.875856D+01 -0.304223D+01 -0.305577D+02  0.194136D+01 -0.260662D+00
      6   0.719667D+00  0.460923D+01 -0.709249D+01  0.133375D+00  0.289110D+01
                66            67            68            69            70 
      1  -0.927674D+00  0.971516D+01 -0.241717D+02  0.229520D+01  0.158467D+01
      2  -0.140265D+00 -0.651469D+01  0.367345D+02 -0.122794D+01 -0.830751D+00
      3   0.106794D+01 -0.320047D+01 -0.125628D+02 -0.106726D+01 -0.753916D+00
      4   0.127612D+01  0.495923D+01  0.288523D+02 -0.273619D+01  0.214313D+01
      5  -0.214210D+01 -0.334313D+01 -0.607453D+00  0.455530D+01  0.527658D+00
      6  -0.262663D+01  0.518684D+00 -0.985910D+01  0.669702D+01 -0.132402D+01
                71            72            73            74            75 
      1   0.159036D+01 -0.513492D+01  0.826991D+02  0.104200D+02  0.189240D+01
      2  -0.380795D+00  0.236345D+01 -0.396145D+02 -0.210403D+01  0.961433D+00
      3  -0.120957D+01  0.277146D+01 -0.430846D+02 -0.831602D+01 -0.285383D+01
      4  -0.436216D+00  0.138580D+01  0.310130D+02  0.160868D+02 -0.141613D+00
      5   0.197482D+01 -0.210040D+01 -0.100771D+02 -0.182584D+01  0.114928D+02
      6   0.614740D+01 -0.103737D+01 -0.543883D+00 -0.170338D+01  0.367288D+01
                76            77            78            79            80 
      1   0.179461D+01  0.454251D+01  0.209570D+00  0.105213D+02  0.975320D+00
      2   0.144923D+01  0.562024D+00 -0.569434D+00 -0.439050D+01 -0.668235D-01
      3  -0.324384D+01 -0.510453D+01  0.359864D+00 -0.613084D+01 -0.908497D+00
      4   0.118265D+02  0.657067D+01  0.409023D+00  0.450636D+01  0.326396D+01
      5   0.441973D+00 -0.197950D+00 -0.672464D+00  0.928211D+01  0.297887D+00
      6  -0.775531D+00 -0.678724D+00  0.977173D+00  0.277100D+01  0.872338D+00
                81            82            83            84            85 
      1   0.541542D+01  0.558096D+01  0.151085D+02  0.505690D+01 -0.170039D+01
      2  -0.490444D+01 -0.550140D+01 -0.101355D+02 -0.117550D+01  0.104923D+02
      3  -0.510978D+00 -0.795629D-01 -0.497305D+01 -0.388140D+01 -0.879192D+01
      4   0.103756D+01  0.652435D+01 -0.112331D+02  0.233100D+00  0.308042D+01
      5   0.506783D+00  0.194565D+01 -0.525731D-01 -0.113033D+01  0.194992D+01
      6   0.585587D+00  0.306287D+01 -0.287503D+01 -0.606992D+01  0.491196D+01
                86            87            88            89            90 
      1   0.241211D+01  0.225542D+01  0.181242D+00  0.412469D+01 -0.147811D+02
      2  -0.722637D+01 -0.198677D+01  0.251386D+01 -0.583507D+01  0.249202D+01
      3   0.481426D+01 -0.268646D+00 -0.269510D+01  0.171037D+01  0.122891D+02
      4   0.146131D+02  0.187934D+01  0.502102D+00 -0.196949D+01  0.320416D+01
      5   0.168291D+01  0.946147D-01  0.398641D+01  0.338760D+01 -0.168689D+01
      6  -0.302355D+01  0.607297D+01 -0.292796D+01  0.138881D+02 -0.106106D-01
                91            92            93            94            95 
      1   0.336868D+01 -0.212304D+02 -0.205018D+01  0.245037D+02  0.102102D+02
      2  -0.282137D+01  0.136788D+02  0.799504D+00 -0.234703D+02 -0.140418D+02
      3  -0.547308D+00  0.755158D+01  0.125067D+01 -0.103342D+01  0.383162D+01
      4  -0.118277D+02 -0.554836D+01 -0.497097D+01  0.714126D+01 -0.451310D+01
      5  -0.408969D+01 -0.463317D+01 -0.217765D+01 -0.768683D+00 -0.574954D+01
      6  -0.529762D+01 -0.235159D+01  0.470298D+01 -0.484907D+01 -0.882637D+01
                96            97            98            99           100 
      1   0.192251D+01  0.233636D+01 -0.314064D+01 -0.514988D+01 -0.101877D+02
      2  -0.571942D+01 -0.608145D+01 -0.456955D+01 -0.520489D+01  0.606771D+01
      3   0.379691D+01  0.374509D+01  0.771019D+01  0.103548D+02  0.411999D+01
      4  -0.561366D+01 -0.526391D+01 -0.926080D+01  0.145854D+02 -0.147804D+01
      5   0.124537D+02  0.140350D+02  0.149612D+02  0.726197D+01 -0.857694D+01
      6   0.519275D+01  0.579795D+01  0.144490D+02  0.344815D+01  0.601436D+00
               101           102           103           104           105 
      1  -0.675056D+00 -0.726828D+01  0.393670D+01 -0.208220D+02 -0.611956D+01
      2   0.552417D+00  0.395715D+01 -0.220303D+01  0.187925D+02  0.879226D+01
      3   0.122639D+00  0.331112D+01 -0.173367D+01  0.202957D+01 -0.267270D+01
      4   0.229194D+02  0.499071D+00 -0.205581D+02 -0.641427D+01 -0.342923D+01
      5   0.421433D+00  0.179565D+02 -0.995669D+01 -0.243491D+01 -0.137918D+01
      6   0.732699D+00  0.134953D+01 -0.280687D+01  0.363719D+01 -0.497508D+01
               106           107           108           109           110 
      1  -0.941719D+01 -0.653517D+01  0.138730D+02  0.321293D+01  0.220136D+02
      2   0.337772D+01  0.516260D+01 -0.179013D+02 -0.521197D+01 -0.130270D+02
      3   0.603947D+01  0.137257D+01  0.402834D+01  0.199903D+01 -0.898656D+01
      4  -0.107869D+02  0.760588D+00 -0.763886D+00  0.181196D+02  0.226489D+01
      5   0.348883D+02  0.152780D+00  0.602929D+01  0.102036D+00  0.428232D+01
      6   0.132290D+00  0.577366D+01 -0.389166D+01  0.262133D+01 -0.258687D+01
               111           112           113           114           115 
      1   0.491433D+01 -0.242162D+02  0.636248D+01  0.141313D+01 -0.744629D+01
      2   0.235261D+00  0.241331D+02 -0.111795D+02 -0.130038D+01  0.821438D+01
      3  -0.514959D+01  0.831032D-01  0.481700D+01 -0.112748D+00 -0.768093D+00
      4   0.484378D+01  0.583446D+01  0.121702D+02  0.813742D+01  0.242097D+01
      5   0.424483D+01 -0.310011D+01  0.727246D+01 -0.116143D+02  0.183015D+02
      6  -0.649905D+01  0.618450D+01 -0.528922D+01  0.596462D+01 -0.707380D+01
               116           117           118           119           120 
      1   0.634683D+01  0.402132D+00  0.677590D+01 -0.130249D+02  0.184821D+00
      2  -0.846171D+01 -0.684895D+01 -0.568673D+01  0.997742D+01 -0.163516D+01
      3   0.211488D+01  0.644681D+01 -0.108918D+01  0.304749D+01  0.145033D+01
      4   0.687461D+01 -0.148024D+02 -0.104152D+02 -0.174559D+02 -0.391385D+01
      5  -0.147095D+02 -0.749574D+01 -0.485752D-01 -0.373972D+01 -0.424892D+01
      6   0.134743D+02 -0.532183D+00 -0.304786D+01 -0.254356D+01  0.545969D+01
               121           122           123           124           125 
      1   0.244904D+01  0.734429D+01  0.476122D+01  0.180438D+01  0.149237D+01
      2  -0.921561D+01 -0.102804D+02 -0.577446D+01 -0.399474D+01 -0.686162D+01
      3   0.676657D+01  0.293610D+01  0.101323D+01  0.219036D+01  0.536925D+01
      4   0.107820D+02 -0.130672D+02 -0.170028D+01 -0.182692D-01 -0.436324D+01
      5   0.290442D+00 -0.183891D+01 -0.106226D+01  0.164261D+00 -0.514125D+01
      6  -0.469675D+01 -0.897155D+01  0.302626D+01  0.351658D+01  0.118798D+02
               126           127           128           129           130 
      1  -0.152328D+02 -0.405455D+01  0.788739D+01  0.202903D+00  0.820946D+01
      2   0.586639D+00  0.615344D+01 -0.110314D+02 -0.337598D+00 -0.111526D+02
      3   0.146461D+02 -0.209890D+01  0.314405D+01  0.134695D+00  0.294315D+01
      4  -0.598077D+01 -0.755709D+01  0.719403D+01  0.626216D+00  0.748917D+01
      5  -0.547051D+01 -0.516897D+00  0.864373D+00  0.820503D+00  0.924016D+00
      6   0.416119D+01 -0.145526D+00 -0.277705D-01 -0.191784D+01 -0.978808D+00
               131           132           133           134           135 
      1  -0.250065D+02 -0.192092D+01  0.466229D+00 -0.156911D+01 -0.778189D+00
      2   0.340663D+02  0.149911D+01 -0.859639D+00  0.219763D+01  0.139904D+01
      3  -0.905973D+01  0.421812D+00  0.393410D+00 -0.628522D+00 -0.620854D+00
      4  -0.682572D+01 -0.494364D+00  0.966149D-01 -0.195654D-01 -0.130835D+01
      5  -0.963193D+00 -0.921457D+00  0.554970D+00 -0.612864D+00 -0.441315D-01
      6   0.236736D+01  0.574464D+01 -0.459237D+00  0.173390D+01  0.284663D+00
               136           137           138           139           140 
      1   0.878400D+01  0.646773D+01  0.117134D+01  0.174456D+01 -0.100924D+02
      2   0.168751D+01  0.441643D+01  0.148515D-01  0.999079D+01  0.310473D+02
      3  -0.104715D+02 -0.108842D+02 -0.118619D+01 -0.117353D+02 -0.209549D+02
      4   0.222454D+02  0.255155D+02  0.516440D+01  0.273857D+02  0.468459D+02
      5   0.479689D+01  0.505874D+01  0.549991D+01  0.518954D+01  0.801385D+01
      6   0.351939D+01  0.402332D+01  0.339466D+01  0.493868D+01  0.103489D+02
               141           142           143           144           145 
      1  -0.209373D+01  0.119394D+01 -0.118463D+01 -0.897121D+00  0.990462D+02
      2   0.357955D+01  0.132947D+01  0.490109D+01  0.184672D+01 -0.570233D+02
      3  -0.148582D+01 -0.252341D+01 -0.371646D+01 -0.949600D+00 -0.420229D+02
      4   0.836685D+01  0.669854D+01  0.101245D+02  0.337508D+01  0.345057D+01
      5   0.640335D+01  0.247248D+01  0.278456D+01  0.218956D+01  0.125491D+02
      6   0.846851D+01  0.207572D+01  0.398006D+01  0.276606D+01 -0.199644D+01
               146           147           148           149           150 
      1   0.278105D+01  0.812804D+01  0.154445D+01  0.908830D+01  0.128646D+01
      2  -0.136440D+01 -0.574728D+01 -0.738274D+00 -0.443593D+01 -0.118901D+01
      3  -0.141665D+01 -0.238076D+01 -0.806171D+00 -0.465236D+01 -0.974543D-01
      4   0.926324D+01  0.222213D-01  0.146169D+02  0.109743D+01  0.134474D+01
      5   0.104796D+00  0.118029D+02  0.260377D+01  0.144543D+01  0.699458D+00
      6   0.625631D+00 -0.173945D-01  0.103769D+01 -0.162710D+00  0.167033D+01
               151           152           153           154           155 
      1   0.109564D+02  0.152279D+01  0.339142D+01  0.155880D+02 -0.999052D+01
      2  -0.652209D+01 -0.987228D+00 -0.219507D+01 -0.663092D+00 -0.363789D+01
      3  -0.443426D+01 -0.535566D+00 -0.119635D+01 -0.149249D+02  0.136284D+02
      4   0.269102D+01  0.125051D+01  0.563398D+00 -0.285389D+02  0.293159D+02
      5   0.329125D+01  0.388682D+00  0.218832D+01 -0.340631D+01  0.246075D+01
      6   0.515379D-01  0.715833D+00  0.363082D+00  0.104558D+01 -0.863843D+00
               156           157           158           159           160 
      1  -0.130330D+01 -0.616182D+01 -0.189892D+01 -0.985683D-02  0.424667D+00
      2   0.346552D+00 -0.843668D+01  0.234949D+02  0.106212D+01 -0.144075D+01
      3   0.956746D+00  0.145985D+02 -0.215960D+02 -0.105226D+01  0.101609D+01
      4   0.230203D+01  0.322020D+02 -0.468360D+02 -0.527057D+01  0.296416D+01
      5   0.530813D+01  0.441471D+01 -0.581042D+01 -0.591238D+01  0.195154D+01
      6  -0.301559D+01 -0.276408D+01  0.431552D+01  0.654970D+01 -0.138164D+01
               161           162           163           164           165 
      1  -0.125893D+01 -0.520722D+00 -0.472134D+01 -0.763399D+01 -0.300544D+01
      2   0.307751D+01  0.129672D+01  0.594615D+01  0.905479D+01  0.190777D+01
      3  -0.181858D+01 -0.776002D+00 -0.122482D+01 -0.142080D+01  0.109768D+01
      4  -0.492589D+01 -0.254930D+01  0.541093D+01  0.701527D+01  0.127326D+01
      5  -0.168171D+01 -0.824143D+00  0.485174D+00  0.927782D+00  0.165246D+01
      6   0.240107D+01  0.135947D+01  0.258639D+01  0.425204D+01  0.287031D+01
               166           167           168           169           170 
      1  -0.792920D+01 -0.283065D+02 -0.735732D+01 -0.222292D+01 -0.644151D+01
      2   0.985388D+01  0.362369D+02  0.625877D+01  0.245488D+01  0.737210D+01
      3  -0.192469D+01 -0.793041D+01  0.109855D+01 -0.231958D+00 -0.930589D+00
      4   0.631784D+01  0.231876D+01  0.987252D-01  0.167677D+01  0.113174D+01
      5   0.700300D+00 -0.510076D+00  0.339070D+00  0.119701D+01  0.589145D+00
      6   0.326079D+01  0.114661D+02  0.855704D+01  0.126121D+01  0.454329D+01
               171 
      1  -0.292777D+01
      2   0.275818D+01
      3   0.169588D+00
      4   0.182645D+01
      5   0.104694D+01
      6   0.329511D+01
 Leave Link  716 at Mon Aug 16 21:45:15 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130610D+03  0.153281D+01  0.199080D+01
      2   0.153281D+01  0.108459D+03  0.523820D+01
      3   0.199080D+01  0.523820D+01  0.720904D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.774086D+00  0.683549D+00  0.719340D+01
      2   0.100531D+02  0.927024D+01 -0.140996D+01
      3  -0.594092D+01 -0.396977D+02 -0.885042D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.941251D+02  0.524477D+01  0.745679D+01
      2  -0.417200D+02 -0.141693D+02 -0.134368D+02
      3  -0.524052D+02  0.892453D+01  0.598002D+01
      4  -0.273163D+02  0.705349D+02  0.221453D+02
      5   0.283574D+02  0.235480D+02 -0.694071D+01
      6   0.871887D+01  0.108842D+02 -0.156608D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.298387D+01  0.221483D+01 -0.665361D+00  0.102755D+01 -0.213681D+01
      2   0.221483D+01 -0.131934D+01  0.112024D+01 -0.213681D+01  0.225835D+01
      3  -0.665361D+00  0.112024D+01  0.703241D-01  0.138946D+01 -0.231578D+01
                 6             7             8             9            10 
      1   0.138946D+01 -0.209003D+01  0.146254D+01 -0.449516D+00  0.445658D+01
      2  -0.231578D+01  0.146254D+01 -0.287330D+01 -0.702958D+00  0.184394D+01
      3  -0.173174D+01 -0.449516D+00 -0.702958D+00 -0.470866D+01  0.177345D+00
                11            12            13            14            15 
      1   0.184394D+01  0.177345D+00  0.617286D+01  0.366786D+01 -0.131603D+01
      2   0.170198D+01 -0.110302D+01  0.366786D+01  0.142120D+00  0.825698D+00
      3  -0.110302D+01  0.123515D+01 -0.131603D+01  0.825698D+00  0.426491D+01
                16            17            18            19            20 
      1  -0.509276D-01 -0.137696D+01  0.367087D+01 -0.567065D+00  0.450857D+00
      2  -0.137696D+01 -0.340563D+00  0.328910D+01  0.450857D+00 -0.552611D+00
      3   0.367087D+01  0.328910D+01  0.533593D+01  0.253567D+00 -0.266788D+00
                21            22            23            24            25 
      1   0.253567D+00  0.133624D+01 -0.878639D+00 -0.513709D+00  0.221096D+01
      2  -0.266788D+00 -0.878639D+00  0.240186D+01  0.107970D+01 -0.113168D+01
      3  -0.524305D+00 -0.513709D+00  0.107970D+01  0.178645D+01 -0.129024D+01
                26            27            28            29            30 
      1  -0.113168D+01 -0.129024D+01 -0.198456D+01 -0.716093D+00 -0.159251D+01
      2   0.295366D+01  0.215596D+01 -0.716093D+00 -0.614591D+00 -0.187835D+00
      3   0.215596D+01  0.435877D+01 -0.159251D+01 -0.187835D+00 -0.145330D+01
                31            32            33            34            35 
      1  -0.272673D+01 -0.159096D+01 -0.578847D+00 -0.418123D+01 -0.577571D+00
      2  -0.159096D+01 -0.124652D+01 -0.143079D+01 -0.577571D+00 -0.162369D+01
      3  -0.578847D+00 -0.143079D+01 -0.232965D+01 -0.283631D+01 -0.182582D+01
                36            37            38            39            40 
      1  -0.283631D+01  0.811969D+01  0.764694D+00  0.153436D+01 -0.263031D+01
      2  -0.182582D+01  0.764694D+00 -0.279570D+01  0.830571D+00 -0.337165D+01
      3  -0.743651D+01  0.153436D+01  0.830571D+00 -0.158599D+01  0.144091D+01
                41            42            43            44            45 
      1  -0.337165D+01  0.144091D+01  0.483613D+01  0.204639D+01 -0.188972D+01
      2   0.312064D+01  0.294699D+00  0.204639D+01  0.759110D+00 -0.282849D+01
      3   0.294699D+00 -0.308846D+01 -0.188972D+01 -0.282849D+01 -0.465679D+01
                46            47            48            49            50 
      1  -0.172270D+02 -0.247408D+01 -0.606363D+00 -0.329530D+01  0.183373D+01
      2  -0.247408D+01 -0.258012D+01 -0.100681D+00  0.183373D+01 -0.157442D+00
      3  -0.606363D+00 -0.100681D+00 -0.193382D+01  0.101727D+01  0.201841D-01
                51            52            53            54            55 
      1   0.101727D+01 -0.692790D+00  0.873475D+00 -0.371407D+01 -0.327721D+00
      2   0.201841D-01  0.873475D+00 -0.649007D-01 -0.573353D+00  0.161014D+00
      3  -0.457466D+00 -0.371407D+01 -0.573353D+00 -0.154563D+01  0.521028D+00
                56            57            58            59            60 
      1   0.161014D+00  0.521028D+00  0.109411D+01  0.153326D+00 -0.545947D+00
      2   0.633658D+00 -0.120623D+00  0.153326D+00  0.527805D+00  0.101021D+01
      3  -0.120623D+00  0.110517D+01 -0.545947D+00  0.101021D+01  0.230973D+01
                61            62            63            64            65 
      1   0.133566D+01  0.103355D+00 -0.692044D+00  0.769193D+00 -0.733517D+00
      2   0.103355D+00  0.154863D+01  0.639167D+00 -0.733517D+00  0.169328D+01
      3  -0.692044D+00  0.639167D+00  0.717445D+01 -0.331512D+00 -0.385167D+00
                66            67            68            69            70 
      1  -0.331512D+00 -0.200251D+01  0.393346D+00  0.162258D+00 -0.635165D+00
      2  -0.385167D+00  0.393346D+00 -0.739280D+01  0.673671D+00 -0.282601D+00
      3   0.645806D+00  0.162258D+00  0.673671D+00 -0.121046D+01  0.184679D+00
                71            72            73            74            75 
      1  -0.282601D+00  0.184679D+00 -0.132421D+02 -0.226234D+01  0.136304D+00
      2   0.243577D+00 -0.677821D+00 -0.226234D+01 -0.148645D+01  0.142683D+00
      3  -0.677821D+00  0.617160D+00  0.136304D+00  0.142683D+00 -0.134584D+01
                76            77            78            79            80 
      1  -0.501727D+00 -0.107672D+01 -0.192534D+00 -0.227781D+01 -0.479220D+00
      2  -0.107672D+01 -0.866774D+00 -0.443108D-01 -0.479220D+00 -0.571711D+00
      3  -0.192534D+00 -0.443108D-01  0.239515D+00 -0.978880D+00  0.576281D-01
                81            82            83            84            85 
      1  -0.978880D+00  0.449991D+01 -0.905307D+00  0.365123D+00  0.772909D+01
      2   0.576281D-01 -0.905307D+00 -0.323494D+01 -0.878951D+00  0.109360D+00
      3  -0.200663D-01  0.365123D+00 -0.878951D+00 -0.196995D+01  0.778863D-01
                86            87            88            89            90 
      1   0.109360D+00  0.778863D-01  0.258710D+01 -0.259208D+00 -0.176111D+01
      2   0.162598D+01 -0.452312D+00 -0.259208D+00 -0.116288D+01  0.344009D+01
      3  -0.452312D+00  0.180480D+01 -0.176111D+01  0.344009D+01  0.843248D+00
                91            92            93            94            95 
      1  -0.343551D+01 -0.160376D+00 -0.540897D+00  0.514415D+01 -0.185541D-01
      2  -0.160376D+00  0.291386D+01 -0.264988D+00 -0.185541D-01  0.114254D+01
      3  -0.540897D+00 -0.264988D+00  0.991871D+00 -0.180169D+00 -0.848462D+00
                96            97            98            99           100 
      1  -0.180169D+00  0.167064D+00 -0.980380D+00  0.216973D+01  0.580457D+01
      2  -0.848462D+00 -0.980380D+00 -0.791650D+00  0.386193D+01  0.319055D+00
      3   0.205352D+01  0.216973D+01  0.386193D+01  0.233928D+01 -0.646454D+00
               101           102           103           104           105 
      1   0.319055D+00 -0.646454D+00  0.823212D+00 -0.753975D+00 -0.114473D+01
      2   0.312445D+01  0.271445D-01 -0.753975D+00 -0.775182D-01 -0.347432D+00
      3   0.271445D-01  0.279673D+01 -0.114473D+01 -0.347432D+00 -0.873719D-01
               106           107           108           109           110 
      1  -0.318484D+00 -0.107248D+01  0.527466D+01 -0.260046D+01 -0.216738D+00
      2  -0.107248D+01  0.327642D+00  0.748134D-01 -0.216738D+00  0.262306D+01
      3   0.527466D+01  0.748134D-01  0.131300D+01 -0.479709D+00  0.834373D+00
               111           112           113           114           115 
      1  -0.479709D+00 -0.562205D+01 -0.441911D+00 -0.817458D+00 -0.195315D+01
      2   0.834373D+00 -0.441911D+00 -0.878204D+00  0.980178D+00 -0.169965D+00
      3   0.154056D+01 -0.817458D+00  0.980178D+00 -0.215840D+01  0.280403D+01
               116           117           118           119           120 
      1  -0.169965D+00  0.280403D+01  0.385642D+01  0.176093D+01  0.587474D+00
      2   0.147584D+01 -0.338583D+01  0.176093D+01 -0.298681D+01  0.112635D+00
      3  -0.338583D+01 -0.113727D+01  0.587474D+00  0.112635D+00 -0.123615D+01
               121           122           123           124           125 
      1  -0.653160D+01 -0.770576D+00  0.254120D+00 -0.548320D-01  0.921648D+00
      2  -0.770576D+00 -0.146059D+01  0.894889D+00  0.921648D+00  0.517950D+00
      3   0.254120D+00  0.894889D+00 -0.132829D+01 -0.932497D+00 -0.325649D+01
               126           127           128           129           130 
      1  -0.932497D+00 -0.293507D+01  0.202844D+01  0.339542D-02  0.239095D+01
      2  -0.325649D+01  0.202844D+01 -0.257278D+01 -0.974863D-01 -0.270865D+01
      3  -0.226698D+01  0.339542D-02 -0.974863D-01 -0.237914D+00 -0.246598D+00
               131           132           133           134           135 
      1  -0.270865D+01 -0.246598D+00 -0.288474D+00 -0.393706D-01  0.866690D-01
      2   0.698356D+01  0.432044D+00 -0.393706D-01  0.453936D+00  0.111855D+00
      3   0.432044D+00  0.849897D+00  0.866690D-01  0.111855D+00 -0.480069D-01
               136           137           138           139           140 
      1   0.287746D+01  0.293719D+01  0.712780D+00  0.280279D+01  0.402860D+01
      2   0.293719D+01  0.317982D+01  0.716972D+00  0.402860D+01  0.862193D+01
      3   0.712780D+00  0.716972D+00  0.639293D+00  0.804730D+00  0.159488D+01
               141           142           143           144           145 
      1   0.804730D+00  0.759585D+00  0.982795D+00  0.287105D+00  0.130593D+02
      2   0.159488D+01  0.982795D+00  0.178498D+01  0.360890D+00  0.374313D+00
      3   0.124259D+01  0.287105D+00  0.360890D+00  0.277959D+00  0.129993D+01
               146           147           148           149           150 
      1   0.374313D+00  0.129993D+01  0.278012D+00  0.154422D+01  0.313027D+00
      2   0.883770D+00  0.113958D-01  0.154422D+01  0.139468D+00  0.162876D+00
      3   0.113958D-01  0.114854D+01  0.313027D+00  0.162876D+00  0.955387D-01
               151           152           153           154           155 
      1   0.151970D+01  0.339912D+00  0.124267D+00  0.401114D+01 -0.348414D+01
      2   0.339912D+00  0.108834D+00  0.222900D-01 -0.348414D+01  0.355111D+01
      3   0.124267D+00  0.222900D-01  0.155024D+00 -0.319184D+00  0.247845D+00
               156           157           158           159           160 
      1  -0.319184D+00 -0.345146D+01  0.439521D+01  0.601755D+00 -0.212232D+00
      2   0.247845D+00  0.439521D+01 -0.752558D+01 -0.849343D+00  0.399134D+00
      3   0.579371D+00  0.601755D+00 -0.849343D+00 -0.968790D+00  0.992843D-01
               161           162           163           164           165 
      1   0.399134D+00  0.992843D-01 -0.215089D+01 -0.190267D+01 -0.409324D+00
      2  -0.978580D+00 -0.223119D+00 -0.190267D+01 -0.216163D+01 -0.638318D+00
      3  -0.223119D+00 -0.150572D+00 -0.409324D+00 -0.638318D+00 -0.465560D+00
               166           167           168           169           170 
      1  -0.203726D+01 -0.237721D+01 -0.525400D+00 -0.661081D+00 -0.759818D+00
      2  -0.237721D+01 -0.735883D+01 -0.168060D+01 -0.759818D+00 -0.176688D+01
      3  -0.525400D+00 -0.168060D+01 -0.128631D+01 -0.156902D+00 -0.539838D+00
               171 
      1  -0.156902D+00
      2  -0.539838D+00
      3  -0.444336D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.287098D+00 -0.516094D+00  0.771491D+00 -0.345669D+00 -0.761053D-01
      2  -0.817367D+00 -0.507583D+00  0.468302D+01 -0.115143D+01  0.427773D+01
      3   0.262236D+01 -0.920267D+01  0.153773D+01  0.207312D+01  0.652830D+01
                 6             7             8             9            10 
      1  -0.698370D+00 -0.444332D+01  0.654150D+01  0.823724D+01 -0.233327D+01
      2   0.334893D+01 -0.105810D+01  0.401565D+01  0.113711D+02  0.110718D+01
      3  -0.538149D+01 -0.616835D+00 -0.642212D+01 -0.243515D+01  0.722640D+01
                11            12            13            14            15 
      1   0.963998D-01  0.829067D+00 -0.983958D+00 -0.391638D+00  0.566074D+00
      2   0.166605D+01 -0.123064D+01  0.428160D+01  0.476948D+00 -0.638185D+01
      3   0.230520D+01 -0.344411D+00  0.122513D+02 -0.691597D+01  0.164894D+01
                16            17            18            19            20 
      1   0.424640D+01  0.501666D+01 -0.723781D+00 -0.293719D+00  0.429840D+00
      2  -0.142038D+02 -0.710141D+01 -0.816235D+01 -0.183353D+01  0.842981D+00
      3  -0.517251D+00 -0.152497D+01  0.626280D+01  0.253143D+01 -0.501591D+00
                21            22            23            24            25 
      1   0.547908D+00  0.111695D+01 -0.299575D+01 -0.413914D+01  0.321668D+01
      2   0.125165D+01  0.818564D+00 -0.323943D+01 -0.480026D+01  0.568746D+00
      3  -0.282351D+00  0.706035D+00  0.489124D+01  0.267745D+01  0.515569D+00
                26            27            28            29            30 
      1  -0.275101D+01 -0.910982D+01 -0.681544D+00  0.114652D+01 -0.616773D+00
      2  -0.615653D+01 -0.112281D+02  0.159497D+01  0.337116D+00  0.299726D+01
      3   0.751763D+01  0.511710D+01 -0.168967D+01 -0.348850D+01 -0.285380D+00
                31            32            33            34            35 
      1   0.116755D+01  0.764939D+00 -0.101248D+01 -0.110385D+01  0.240557D+01
      2  -0.559129D+00  0.127906D+01  0.420001D+01  0.115817D+01  0.286587D+01
      3  -0.169306D+01 -0.128253D+01 -0.297424D+01  0.301697D-01 -0.319039D+01
                36            37            38            39            40 
      1  -0.127195D+01  0.395287D+01 -0.217049D+01 -0.239253D+01  0.319224D+00
      2   0.120205D+02 -0.112862D+02 -0.377007D+01  0.652991D+01 -0.540019D+01
      3  -0.365178D+01 -0.778528D+01 -0.134374D+02  0.408986D-02 -0.793994D+01
                41            42            43            44            45 
      1   0.687606D+01 -0.670960D+01 -0.119762D+01 -0.277623D+01 -0.702259D+01
      2   0.369802D+00  0.733534D+01  0.148597D+01  0.707922D+01  0.131395D+02
      3   0.164779D+02 -0.382262D+00  0.172620D+01 -0.115637D+01 -0.635549D+01
                46            47            48            49            50 
      1   0.944845D+00 -0.974886D+00 -0.422560D+00 -0.335294D+01 -0.168682D+01
      2  -0.185081D-01 -0.184927D+01 -0.126364D+01 -0.149140D+01  0.604313D+00
      3  -0.774281D+01  0.613350D+01  0.670790D+00  0.156777D+02 -0.351173D-01
                51            52            53            54            55 
      1   0.128523D+01  0.119641D+01  0.105117D+02  0.213311D+01  0.856583D+00
      2   0.985500D+00 -0.129950D+02  0.762374D+00 -0.117926D+00 -0.175543D+01
      3   0.348601D+00 -0.450772D+00  0.225989D+01 -0.115406D+01  0.854442D+00
                56            57            58            59            60 
      1   0.113129D+01  0.961674D+00  0.174073D+00  0.250952D+01  0.197962D+01
      2  -0.206650D-01 -0.246266D+01 -0.239639D+00 -0.272529D+01 -0.571134D+01
      3   0.121077D+01 -0.699759D+00  0.122361D+01  0.113800D+01  0.264612D+01
                61            62            63            64            65 
      1  -0.508969D+00  0.530252D+01  0.942963D+01 -0.195672D+01  0.153062D+01
      2  -0.262432D+01 -0.238062D+01 -0.178275D+02 -0.288195D+00  0.116239D+01
      3  -0.113993D+01  0.424245D+01  0.260016D+01 -0.659125D+01  0.585424D+01
                66            67            68            69            70 
      1   0.169867D+01  0.139697D+01 -0.554134D+01 -0.319980D+01  0.700675D+00
      2  -0.985419D+00  0.126271D+01 -0.252293D+01  0.227722D+01 -0.147321D+01
      3   0.280291D+00  0.812647D+01 -0.203696D+02  0.132546D+01  0.109345D+01
                71            72            73            74            75 
      1   0.511334D+00  0.322555D+00 -0.420969D+00 -0.942051D+00 -0.199584D+01
      2   0.119848D+01 -0.135957D+01  0.717634D+01  0.760795D+00  0.685264D+01
      3   0.628567D+00 -0.228884D+01  0.887875D+01 -0.522137D+01  0.420366D+00
                76            77            78            79            80 
      1  -0.539572D+00 -0.588814D+00 -0.401560D+00 -0.114694D+01  0.748217D+00
      2   0.113305D+01  0.443266D+00 -0.447212D+00  0.199100D+01 -0.433186D+00
      3  -0.384915D+00 -0.183380D+01 -0.204284D+00  0.248538D+00 -0.106561D+01
                81            82            83            84            85 
      1   0.563211D-01 -0.128137D+01 -0.946449D-01  0.298246D+01 -0.919295D+00
      2   0.502511D+00  0.247639D+01 -0.141806D+00 -0.991043D+00  0.333558D+01
      3   0.152198D+01  0.663598D+01 -0.553586D+00  0.179562D+01  0.600456D+01
                86            87            88            89            90 
      1  -0.148903D-01 -0.244861D+01  0.541263D+01  0.236413D+01  0.150261D+00
      2   0.117454D+01  0.564799D+00 -0.125099D+02  0.189817D+00 -0.354487D+00
      3  -0.566710D+01  0.261596D+00  0.184194D+01 -0.441976D+00 -0.512505D+01
                91            92            93            94            95 
      1   0.130543D+01  0.565967D+00 -0.191639D+01  0.879873D+00  0.359462D-01
      2  -0.140398D+00  0.121470D+01 -0.507633D-01  0.925999D+00 -0.276888D+01
      3  -0.326516D+01 -0.997165D+01 -0.202565D+01  0.533029D+01 -0.230869D+01
                96            97            98            99           100 
      1  -0.289265D+01 -0.547451D+01  0.175817D+01 -0.115331D+01  0.137813D+00
      2   0.592789D+01 -0.750678D+01  0.959468D+01  0.343507D+01 -0.285898D+00
      3   0.171931D+01 -0.208885D+00  0.109106D+01 -0.516515D+01  0.607216D+00
               101           102           103           104           105 
      1  -0.865295D+00 -0.602576D+00 -0.113729D+01 -0.276537D+01  0.240703D+01
      2  -0.170299D+00  0.807150D+01 -0.348756D+01 -0.152863D+00 -0.625811D+00
      3  -0.725710D+01  0.210128D+00  0.114031D+02  0.340926D+01  0.186018D+01
               106           107           108           109           110 
      1  -0.901446D+00  0.111421D+02  0.239977D+01 -0.123498D+01 -0.191250D+00
      2   0.819597D+01  0.412290D+00  0.273446D+01 -0.562080D+00  0.245480D+01
      3   0.334934D+01  0.137799D+01  0.101280D+01 -0.188726D+01 -0.131332D+02
               111           112           113           114           115 
      1   0.279381D+01 -0.141568D+01  0.384799D+00 -0.240452D+01  0.661319D+01
      2   0.195611D+01 -0.814780D+00  0.303848D+01 -0.555999D+01 -0.549263D+01
      3  -0.228820D+01  0.447138D+01 -0.114094D+01 -0.208208D+01 -0.225557D+00
               116           117           118           119           120 
      1   0.276281D+01  0.107387D+01  0.266627D+00  0.105016D+01 -0.251405D+01
      2  -0.100309D+02 -0.361126D+01  0.329108D+01  0.152263D+01 -0.111671D+01
      3  -0.442737D+01  0.391201D+01  0.452650D+00 -0.111713D+01 -0.191342D+01
               121           122           123           124           125 
      1   0.135777D+01 -0.824709D+00 -0.243273D+01 -0.553865D+01  0.215958D+01
      2   0.128629D+01 -0.150013D+01 -0.134783D+01 -0.131622D+02 -0.107132D+01
      3   0.433707D+00  0.784905D+01  0.132566D+00 -0.434976D+01 -0.889415D-02
               126           127           128           129           130 
      1  -0.744730D+00  0.420661D+00 -0.412093D+00  0.169070D+01  0.304996D+00
      2  -0.254496D+01  0.127957D+01 -0.333841D+00  0.122450D+00 -0.457111D+00
      3   0.572282D+01 -0.954860D+01  0.384548D+01 -0.239752D-01  0.778465D+01
               131           132           133           134           135 
      1  -0.309290D-01 -0.357053D+01 -0.530217D+00  0.192979D+01  0.233669D+00
      2   0.924415D+00 -0.799390D+00 -0.165751D+01  0.422568D+00 -0.929309D-01
      3  -0.642404D+01 -0.808742D+00 -0.639567D+00  0.911075D-01  0.316670D-01
               136           137           138           139           140 
      1  -0.204986D+00  0.249739D-01 -0.205246D+01 -0.876297D-01  0.552146D+00
      2   0.541792D+00  0.871665D+00  0.222628D+01  0.635120D+00  0.252472D+01
      3  -0.103069D+01 -0.349934D+01 -0.568822D+00 -0.176535D+01 -0.129679D+02
               141           142           143           144           145 
      1  -0.424934D+01  0.610670D+00  0.200240D+01 -0.558384D+00 -0.871769D-01
      2   0.365987D+01 -0.593693D+00 -0.118971D+00  0.647195D+00  0.183386D+01
      3  -0.217275D+01 -0.365069D+00 -0.248675D+01 -0.328106D+00  0.169408D+00
               146           147           148           149           150 
      1   0.457817D+00 -0.216161D+00  0.219841D+00 -0.250997D-01 -0.346531D+00
      2  -0.128436D+00  0.676924D+01  0.120796D+01  0.326548D+00  0.395956D+00
      3  -0.558222D+01  0.203711D+00 -0.357765D+01 -0.260976D+00 -0.381132D+00
               151           152           153           154           155 
      1   0.413363D-01  0.579857D+00  0.111338D-01  0.251021D+00 -0.611200D+00
      2  -0.266153D+01  0.507675D-01  0.620248D+00  0.299185D+00 -0.336521D+00
      3  -0.121852D+01 -0.590728D+00 -0.245103D+00  0.114472D+01 -0.468318D+01
               156           157           158           159           160 
      1   0.220029D+01  0.230937D+00  0.215629D+00 -0.386429D+01 -0.791502D+00
      2   0.247924D+01  0.413056D+00 -0.907681D+00 -0.343051D+01 -0.775399D+00
      3  -0.393328D-01 -0.272308D+01  0.119622D+02  0.962452D+00 -0.693345D+00
               161           162           163           164           165 
      1   0.163904D+01 -0.298885D+00  0.645986D+00  0.344405D+00 -0.174673D+01
      2   0.514000D+00 -0.328815D+00 -0.161744D+01 -0.955589D+00  0.206709D+00
      3   0.187951D+01  0.262475D+00  0.765042D+01  0.406998D+01  0.729853D+00
               166           167           168           169           170 
      1   0.618489D+00  0.983377D+00 -0.391293D+01  0.365973D+00  0.238168D+01
      2  -0.169869D+01 -0.162263D+01  0.408672D+00 -0.198981D+01 -0.578882D+00
      3   0.790204D+01  0.771688D+01  0.179993D+01  0.162029D+01  0.222700D+01
               171 
      1  -0.545389D+00
      2   0.161627D+00
      3   0.304906D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.205914D+02 -0.404075D+01  0.253898D+01 -0.782076D+01  0.180343D+01
      2  -0.863124D+01 -0.130895D+01 -0.858200D+00  0.477891D-01  0.913169D+01
      3  -0.119601D+02  0.534970D+01 -0.168078D+01  0.777297D+01 -0.109351D+02
      4  -0.155531D+02  0.182396D+02 -0.609856D+01  0.214678D+02 -0.177652D+02
      5   0.493913D+01 -0.554876D+01  0.850618D+01 -0.920506D+01  0.116501D+02
      6  -0.272513D+01  0.219361D+01 -0.278674D+01  0.383727D+01 -0.913781D+01
                 6             7             8             9            10 
      1   0.536979D+00  0.416504D+01  0.236524D+01  0.144416D+01  0.931501D+01
      2  -0.280380D+01 -0.266606D+01 -0.473293D+01 -0.701863D+01 -0.243661D+01
      3   0.226682D+01 -0.149899D+01  0.236769D+01  0.557447D+01 -0.687840D+01
      4   0.118547D+02 -0.986905D+01  0.143815D+02  0.332015D+01 -0.680987D+01
      5   0.497780D+01  0.733705D+01  0.304717D+01  0.232297D+02 -0.663354D+00
      6   0.406519D+01  0.112746D+01  0.438088D+00 -0.133606D+02  0.149638D+01
                11            12            13            14            15 
      1   0.150732D+01 -0.204221D+01  0.492008D+01 -0.709787D+01  0.398787D+01
      2   0.120613D+01  0.981613D+00  0.304438D+01  0.355117D+01 -0.864559D+00
      3  -0.271345D+01  0.106060D+01 -0.796446D+01  0.354670D+01 -0.312331D+01
      4  -0.154678D+02  0.399947D+01 -0.258950D+02  0.361246D+01 -0.331208D+01
      5   0.450247D+01 -0.111356D+02  0.102003D+02 -0.326768D+01 -0.158649D+02
      6   0.241755D+01 -0.200996D+01  0.112936D+01  0.526903D+01 -0.930301D+01
                16            17            18            19            20 
      1   0.130928D+02  0.406808D+01 -0.430788D+00  0.334326D+01 -0.320904D+01
      2   0.123793D+01  0.347793D+01  0.823332D+01 -0.155170D+01  0.920607D+00
      3  -0.143307D+02 -0.754600D+01 -0.780253D+01 -0.179156D+01  0.228843D+01
      4   0.104220D+02  0.382931D+01 -0.173341D+02 -0.406719D+01  0.238229D+01
      5  -0.197219D+02 -0.159652D+02 -0.214004D+02 -0.182837D+01  0.186582D+01
      6  -0.104411D+02 -0.386580D+01 -0.440153D+01  0.118627D+01 -0.164092D+00
                21            22            23            24            25 
      1  -0.209571D+01 -0.441720D+01 -0.308277D+01 -0.125839D+01 -0.582425D+01
      2   0.259015D+00  0.707420D+00  0.582353D+01  0.292289D+01  0.274151D+01
      3   0.183669D+01  0.370978D+01 -0.274076D+01 -0.166451D+01  0.308274D+01
      4   0.239172D+01  0.645684D+01 -0.111212D+02 -0.573804D+01  0.814942D+01
      5   0.262748D+01  0.285371D+01 -0.526205D+01 -0.832713D+01  0.739391D+01
      6  -0.773028D+00 -0.168443D+01  0.460811D+01  0.721266D+01 -0.402174D+01
                26            27            28            29            30 
      1  -0.128510D+01 -0.279644D+01  0.488959D+01  0.117691D+01  0.405027D+01
      2   0.358699D+01  0.179722D+01 -0.616889D+01 -0.112037D+01 -0.440821D+01
      3  -0.230190D+01  0.999224D+00  0.127930D+01 -0.565449D-01  0.357941D+00
      4  -0.141013D+02 -0.106990D+02  0.432479D+01  0.647854D+01  0.211445D+01
      5  -0.103283D+02 -0.203602D+02  0.937501D+01  0.211031D+01  0.124735D+02
      6   0.865084D+01  0.128032D+02  0.250502D+01  0.158381D+00  0.167783D+01
                31            32            33            34            35 
      1   0.133551D+01 -0.241174D+01 -0.329853D+01  0.273324D+01 -0.296502D+01
      2  -0.262479D+01 -0.474525D-01 -0.430472D+00 -0.827318D+01 -0.216881D+01
      3   0.128928D+01  0.245919D+01  0.372900D+01  0.553994D+01  0.513383D+01
      4   0.962592D+01  0.576463D+01  0.648728D+01  0.357639D+01  0.716688D+01
      5   0.350401D+01  0.612564D+01  0.997081D+01  0.182578D+02  0.810986D+01
      6   0.248919D+01  0.476325D+01  0.905579D+01  0.500727D+01  0.668848D+01
                36            37            38            39            40 
      1  -0.106419D+02 -0.540865D+02 -0.153657D+02 -0.117819D+01 -0.684224D+01
      2  -0.140624D+02  0.226245D+02  0.142220D+02  0.355548D+01  0.592045D+01
      3   0.247043D+02  0.314619D+02  0.114375D+01 -0.237730D+01  0.921791D+00
      4   0.842075D+01 -0.163284D+02  0.126016D+02 -0.461679D+01  0.174513D+02
      5   0.314914D+02 -0.248526D+01 -0.228663D+01  0.104429D+02 -0.766255D+01
      6   0.103712D+02 -0.434340D+01 -0.607925D+01  0.396979D+01 -0.570234D+01
                41            42            43            44            45 
      1   0.197240D+02  0.243555D+01 -0.120706D+02 -0.497368D-01  0.119832D+02
      2  -0.211260D+02  0.619909D+01  0.572135D+01  0.360486D+01  0.782835D+01
      3   0.140201D+01 -0.863463D+01  0.634922D+01 -0.355512D+01 -0.198116D+02
      4  -0.814894D+01 -0.213360D+01 -0.146196D+02 -0.371479D+01  0.181677D+02
      5  -0.525752D+01  0.146409D+02  0.140029D+02  0.150166D+02  0.177329D+02
      6  -0.544997D+00  0.640031D+01  0.782270D+01  0.622114D+01 -0.143883D+01
                46            47            48            49            50 
      1  -0.182746D+02  0.157528D-01  0.294246D+00  0.555943D+00 -0.651453D+01
      2   0.550406D+01 -0.220758D+00 -0.448838D+00 -0.157201D+01  0.124058D+02
      3   0.127705D+02  0.205005D+00  0.154592D+00  0.101607D+01 -0.589126D+01
      4   0.117442D+02  0.428061D+01  0.582753D+00 -0.947236D+01 -0.208283D+01
      5  -0.393291D+00  0.911320D-01  0.273263D+00 -0.345060D+01 -0.533607D+00
      6  -0.925476D+00  0.721452D-01 -0.316957D+00 -0.191493D+01  0.265553D+01
                51            52            53            54            55 
      1  -0.148009D-01 -0.737483D+01 -0.885645D+00 -0.916646D+01  0.382353D+01
      2   0.407736D+01  0.134835D+01  0.135432D+01 -0.351644D+01 -0.373386D+01
      3  -0.406256D+01  0.602648D+01 -0.468671D+00  0.126829D+02 -0.896693D-01
      4  -0.115686D+01 -0.293481D+01 -0.203708D+01  0.293431D+01  0.586847D+00
      5   0.197438D+01  0.392949D+01  0.230354D+01  0.254017D+00 -0.205777D+01
      6  -0.267020D+01 -0.112105D+01  0.585837D+01 -0.243421D+01  0.267315D+00
                56            57            58            59            60 
      1   0.948027D+00 -0.590885D+01 -0.264333D+01 -0.438835D+01 -0.252293D+01
      2  -0.136250D+01  0.405218D+00  0.233242D+01  0.110299D+01 -0.554066D+01
      3   0.414474D+00  0.550363D+01  0.310909D+00  0.328536D+01  0.806359D+01
      4  -0.220806D+01 -0.348613D+00 -0.101727D+00 -0.353825D+01 -0.500240D+01
      5   0.895635D+00 -0.176459D+00  0.441413D+01 -0.375714D+01 -0.103553D+02
      6   0.182891D+01 -0.106457D+01 -0.144509D+00  0.230128D+01  0.338372D+01
                61            62            63            64            65 
      1  -0.643139D+01 -0.662328D+00 -0.161116D+02 -0.154691D+01  0.888779D+01
      2   0.479251D+01 -0.416262D+01 -0.170097D+02  0.398770D+01 -0.973763D+01
      3   0.163888D+01  0.482495D+01  0.331213D+02 -0.244078D+01  0.849839D+00
      4  -0.235491D+01 -0.795518D+01 -0.538292D+01  0.688547D+00 -0.318524D+01
      5   0.875856D+01 -0.304223D+01 -0.305577D+02  0.194136D+01 -0.260662D+00
      6   0.719667D+00  0.460923D+01 -0.709249D+01  0.133375D+00  0.289110D+01
                66            67            68            69            70 
      1  -0.927674D+00  0.971516D+01 -0.241717D+02  0.229520D+01  0.158467D+01
      2  -0.140265D+00 -0.651469D+01  0.367345D+02 -0.122794D+01 -0.830751D+00
      3   0.106794D+01 -0.320047D+01 -0.125628D+02 -0.106726D+01 -0.753916D+00
      4   0.127612D+01  0.495923D+01  0.288523D+02 -0.273619D+01  0.214313D+01
      5  -0.214210D+01 -0.334313D+01 -0.607453D+00  0.455530D+01  0.527658D+00
      6  -0.262663D+01  0.518684D+00 -0.985910D+01  0.669702D+01 -0.132402D+01
                71            72            73            74            75 
      1   0.159036D+01 -0.513492D+01  0.826991D+02  0.104200D+02  0.189240D+01
      2  -0.380795D+00  0.236345D+01 -0.396145D+02 -0.210403D+01  0.961433D+00
      3  -0.120957D+01  0.277146D+01 -0.430846D+02 -0.831602D+01 -0.285383D+01
      4  -0.436216D+00  0.138580D+01  0.310130D+02  0.160868D+02 -0.141613D+00
      5   0.197482D+01 -0.210040D+01 -0.100771D+02 -0.182584D+01  0.114928D+02
      6   0.614740D+01 -0.103737D+01 -0.543883D+00 -0.170338D+01  0.367288D+01
                76            77            78            79            80 
      1   0.179461D+01  0.454251D+01  0.209570D+00  0.105213D+02  0.975320D+00
      2   0.144923D+01  0.562024D+00 -0.569434D+00 -0.439050D+01 -0.668235D-01
      3  -0.324384D+01 -0.510453D+01  0.359864D+00 -0.613084D+01 -0.908497D+00
      4   0.118265D+02  0.657067D+01  0.409023D+00  0.450636D+01  0.326396D+01
      5   0.441973D+00 -0.197950D+00 -0.672464D+00  0.928211D+01  0.297887D+00
      6  -0.775531D+00 -0.678724D+00  0.977173D+00  0.277100D+01  0.872338D+00
                81            82            83            84            85 
      1   0.541542D+01  0.558096D+01  0.151085D+02  0.505690D+01 -0.170039D+01
      2  -0.490444D+01 -0.550140D+01 -0.101355D+02 -0.117550D+01  0.104923D+02
      3  -0.510978D+00 -0.795629D-01 -0.497305D+01 -0.388140D+01 -0.879192D+01
      4   0.103756D+01  0.652435D+01 -0.112331D+02  0.233100D+00  0.308042D+01
      5   0.506783D+00  0.194565D+01 -0.525731D-01 -0.113033D+01  0.194992D+01
      6   0.585587D+00  0.306287D+01 -0.287503D+01 -0.606992D+01  0.491196D+01
                86            87            88            89            90 
      1   0.241211D+01  0.225542D+01  0.181242D+00  0.412469D+01 -0.147811D+02
      2  -0.722637D+01 -0.198677D+01  0.251386D+01 -0.583507D+01  0.249202D+01
      3   0.481426D+01 -0.268646D+00 -0.269510D+01  0.171037D+01  0.122891D+02
      4   0.146131D+02  0.187934D+01  0.502102D+00 -0.196949D+01  0.320416D+01
      5   0.168291D+01  0.946147D-01  0.398641D+01  0.338760D+01 -0.168689D+01
      6  -0.302355D+01  0.607297D+01 -0.292796D+01  0.138881D+02 -0.106106D-01
                91            92            93            94            95 
      1   0.336868D+01 -0.212304D+02 -0.205018D+01  0.245037D+02  0.102102D+02
      2  -0.282137D+01  0.136788D+02  0.799504D+00 -0.234703D+02 -0.140418D+02
      3  -0.547308D+00  0.755158D+01  0.125067D+01 -0.103342D+01  0.383162D+01
      4  -0.118277D+02 -0.554836D+01 -0.497097D+01  0.714126D+01 -0.451310D+01
      5  -0.408969D+01 -0.463317D+01 -0.217765D+01 -0.768683D+00 -0.574954D+01
      6  -0.529762D+01 -0.235159D+01  0.470298D+01 -0.484907D+01 -0.882637D+01
                96            97            98            99           100 
      1   0.192251D+01  0.233636D+01 -0.314064D+01 -0.514988D+01 -0.101877D+02
      2  -0.571942D+01 -0.608145D+01 -0.456955D+01 -0.520489D+01  0.606771D+01
      3   0.379691D+01  0.374509D+01  0.771019D+01  0.103548D+02  0.411999D+01
      4  -0.561366D+01 -0.526391D+01 -0.926080D+01  0.145854D+02 -0.147804D+01
      5   0.124537D+02  0.140350D+02  0.149612D+02  0.726197D+01 -0.857694D+01
      6   0.519275D+01  0.579795D+01  0.144490D+02  0.344815D+01  0.601436D+00
               101           102           103           104           105 
      1  -0.675056D+00 -0.726828D+01  0.393670D+01 -0.208220D+02 -0.611956D+01
      2   0.552417D+00  0.395715D+01 -0.220303D+01  0.187925D+02  0.879226D+01
      3   0.122639D+00  0.331112D+01 -0.173367D+01  0.202957D+01 -0.267270D+01
      4   0.229194D+02  0.499071D+00 -0.205581D+02 -0.641427D+01 -0.342923D+01
      5   0.421433D+00  0.179565D+02 -0.995669D+01 -0.243491D+01 -0.137918D+01
      6   0.732699D+00  0.134953D+01 -0.280687D+01  0.363719D+01 -0.497508D+01
               106           107           108           109           110 
      1  -0.941719D+01 -0.653517D+01  0.138730D+02  0.321293D+01  0.220136D+02
      2   0.337772D+01  0.516260D+01 -0.179013D+02 -0.521197D+01 -0.130270D+02
      3   0.603947D+01  0.137257D+01  0.402834D+01  0.199903D+01 -0.898656D+01
      4  -0.107869D+02  0.760588D+00 -0.763886D+00  0.181196D+02  0.226489D+01
      5   0.348883D+02  0.152780D+00  0.602929D+01  0.102036D+00  0.428232D+01
      6   0.132290D+00  0.577366D+01 -0.389166D+01  0.262133D+01 -0.258687D+01
               111           112           113           114           115 
      1   0.491433D+01 -0.242162D+02  0.636248D+01  0.141313D+01 -0.744629D+01
      2   0.235261D+00  0.241331D+02 -0.111795D+02 -0.130038D+01  0.821438D+01
      3  -0.514959D+01  0.831032D-01  0.481700D+01 -0.112748D+00 -0.768093D+00
      4   0.484378D+01  0.583446D+01  0.121702D+02  0.813742D+01  0.242097D+01
      5   0.424483D+01 -0.310011D+01  0.727246D+01 -0.116143D+02  0.183015D+02
      6  -0.649905D+01  0.618450D+01 -0.528922D+01  0.596462D+01 -0.707380D+01
               116           117           118           119           120 
      1   0.634683D+01  0.402132D+00  0.677590D+01 -0.130249D+02  0.184821D+00
      2  -0.846171D+01 -0.684895D+01 -0.568673D+01  0.997742D+01 -0.163516D+01
      3   0.211488D+01  0.644681D+01 -0.108918D+01  0.304749D+01  0.145033D+01
      4   0.687461D+01 -0.148024D+02 -0.104152D+02 -0.174559D+02 -0.391385D+01
      5  -0.147095D+02 -0.749574D+01 -0.485752D-01 -0.373972D+01 -0.424892D+01
      6   0.134743D+02 -0.532183D+00 -0.304786D+01 -0.254356D+01  0.545969D+01
               121           122           123           124           125 
      1   0.244904D+01  0.734429D+01  0.476122D+01  0.180438D+01  0.149237D+01
      2  -0.921561D+01 -0.102804D+02 -0.577446D+01 -0.399474D+01 -0.686162D+01
      3   0.676657D+01  0.293610D+01  0.101323D+01  0.219036D+01  0.536925D+01
      4   0.107820D+02 -0.130672D+02 -0.170028D+01 -0.182692D-01 -0.436324D+01
      5   0.290442D+00 -0.183891D+01 -0.106226D+01  0.164261D+00 -0.514125D+01
      6  -0.469675D+01 -0.897155D+01  0.302626D+01  0.351658D+01  0.118798D+02
               126           127           128           129           130 
      1  -0.152328D+02 -0.405455D+01  0.788739D+01  0.202903D+00  0.820946D+01
      2   0.586639D+00  0.615344D+01 -0.110314D+02 -0.337598D+00 -0.111526D+02
      3   0.146461D+02 -0.209890D+01  0.314405D+01  0.134695D+00  0.294315D+01
      4  -0.598077D+01 -0.755709D+01  0.719403D+01  0.626216D+00  0.748917D+01
      5  -0.547051D+01 -0.516897D+00  0.864373D+00  0.820503D+00  0.924016D+00
      6   0.416119D+01 -0.145526D+00 -0.277705D-01 -0.191784D+01 -0.978808D+00
               131           132           133           134           135 
      1  -0.250065D+02 -0.192092D+01  0.466229D+00 -0.156911D+01 -0.778189D+00
      2   0.340663D+02  0.149911D+01 -0.859639D+00  0.219763D+01  0.139904D+01
      3  -0.905973D+01  0.421812D+00  0.393410D+00 -0.628522D+00 -0.620854D+00
      4  -0.682572D+01 -0.494364D+00  0.966149D-01 -0.195654D-01 -0.130835D+01
      5  -0.963193D+00 -0.921457D+00  0.554970D+00 -0.612864D+00 -0.441315D-01
      6   0.236736D+01  0.574464D+01 -0.459237D+00  0.173390D+01  0.284663D+00
               136           137           138           139           140 
      1   0.878400D+01  0.646773D+01  0.117134D+01  0.174456D+01 -0.100924D+02
      2   0.168751D+01  0.441643D+01  0.148515D-01  0.999079D+01  0.310473D+02
      3  -0.104715D+02 -0.108842D+02 -0.118619D+01 -0.117353D+02 -0.209549D+02
      4   0.222454D+02  0.255155D+02  0.516440D+01  0.273857D+02  0.468459D+02
      5   0.479689D+01  0.505874D+01  0.549991D+01  0.518954D+01  0.801385D+01
      6   0.351939D+01  0.402332D+01  0.339466D+01  0.493868D+01  0.103489D+02
               141           142           143           144           145 
      1  -0.209373D+01  0.119394D+01 -0.118463D+01 -0.897121D+00  0.990462D+02
      2   0.357955D+01  0.132947D+01  0.490109D+01  0.184672D+01 -0.570233D+02
      3  -0.148582D+01 -0.252341D+01 -0.371646D+01 -0.949600D+00 -0.420229D+02
      4   0.836685D+01  0.669854D+01  0.101245D+02  0.337508D+01  0.345057D+01
      5   0.640335D+01  0.247248D+01  0.278456D+01  0.218956D+01  0.125491D+02
      6   0.846851D+01  0.207572D+01  0.398006D+01  0.276606D+01 -0.199644D+01
               146           147           148           149           150 
      1   0.278105D+01  0.812804D+01  0.154445D+01  0.908830D+01  0.128646D+01
      2  -0.136440D+01 -0.574728D+01 -0.738274D+00 -0.443593D+01 -0.118901D+01
      3  -0.141665D+01 -0.238076D+01 -0.806171D+00 -0.465236D+01 -0.974543D-01
      4   0.926324D+01  0.222213D-01  0.146169D+02  0.109743D+01  0.134474D+01
      5   0.104796D+00  0.118029D+02  0.260377D+01  0.144543D+01  0.699458D+00
      6   0.625631D+00 -0.173945D-01  0.103769D+01 -0.162710D+00  0.167033D+01
               151           152           153           154           155 
      1   0.109564D+02  0.152279D+01  0.339142D+01  0.155880D+02 -0.999052D+01
      2  -0.652209D+01 -0.987228D+00 -0.219507D+01 -0.663092D+00 -0.363789D+01
      3  -0.443426D+01 -0.535566D+00 -0.119635D+01 -0.149249D+02  0.136284D+02
      4   0.269102D+01  0.125051D+01  0.563398D+00 -0.285389D+02  0.293159D+02
      5   0.329125D+01  0.388682D+00  0.218832D+01 -0.340631D+01  0.246075D+01
      6   0.515379D-01  0.715833D+00  0.363082D+00  0.104558D+01 -0.863843D+00
               156           157           158           159           160 
      1  -0.130330D+01 -0.616182D+01 -0.189892D+01 -0.985683D-02  0.424667D+00
      2   0.346552D+00 -0.843668D+01  0.234949D+02  0.106212D+01 -0.144075D+01
      3   0.956746D+00  0.145985D+02 -0.215960D+02 -0.105226D+01  0.101609D+01
      4   0.230203D+01  0.322020D+02 -0.468360D+02 -0.527057D+01  0.296416D+01
      5   0.530813D+01  0.441471D+01 -0.581042D+01 -0.591238D+01  0.195154D+01
      6  -0.301559D+01 -0.276408D+01  0.431552D+01  0.654970D+01 -0.138164D+01
               161           162           163           164           165 
      1  -0.125893D+01 -0.520722D+00 -0.472134D+01 -0.763399D+01 -0.300544D+01
      2   0.307751D+01  0.129672D+01  0.594615D+01  0.905479D+01  0.190777D+01
      3  -0.181858D+01 -0.776002D+00 -0.122482D+01 -0.142080D+01  0.109768D+01
      4  -0.492589D+01 -0.254930D+01  0.541093D+01  0.701527D+01  0.127326D+01
      5  -0.168171D+01 -0.824143D+00  0.485174D+00  0.927782D+00  0.165246D+01
      6   0.240107D+01  0.135947D+01  0.258639D+01  0.425204D+01  0.287031D+01
               166           167           168           169           170 
      1  -0.792920D+01 -0.283065D+02 -0.735732D+01 -0.222292D+01 -0.644151D+01
      2   0.985388D+01  0.362369D+02  0.625877D+01  0.245488D+01  0.737210D+01
      3  -0.192469D+01 -0.793041D+01  0.109855D+01 -0.231958D+00 -0.930589D+00
      4   0.631784D+01  0.231876D+01  0.987252D-01  0.167677D+01  0.113174D+01
      5   0.700300D+00 -0.510076D+00  0.339070D+00  0.119701D+01  0.589145D+00
      6   0.326079D+01  0.114661D+02  0.855704D+01  0.126121D+01  0.454329D+01
               171 
      1  -0.292777D+01
      2   0.275818D+01
      3   0.169588D+00
      4   0.182645D+01
      5   0.104694D+01
      6   0.329511D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.104766D+00      0.266287D+00      0.888239D+00
   y         -0.325935D+00     -0.828443D+00     -0.276339D+01
   z          0.480616D+00      0.122160D+01      0.407484D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.119506D+03      0.177089D+02      0.197038D+02
   yx         0.175632D+01      0.260260D+00      0.289578D+00
   yy         0.999482D+02      0.148108D+02      0.164792D+02
   zx         0.210176D+01      0.311449D+00      0.346533D+00
   zy         0.558917D+01      0.828229D+00      0.921529D+00
   zz         0.641851D+02      0.951125D+01      0.105827D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103720D+03      0.153697D+02      0.171011D+02
   aniso      0.521557D+02      0.772868D+01      0.859931D+01
   xx         0.130610D+03      0.193544D+02      0.215347D+02
   yx         0.153281D+01      0.227139D+00      0.252726D+00
   yy         0.108459D+03      0.160720D+02      0.178825D+02
   zx         0.199080D+01      0.295006D+00      0.328238D+00
   zy         0.523820D+01      0.776221D+00      0.863663D+00
   zz         0.720904D+02      0.106827D+02      0.118861D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.99775529          1.19432156         -2.54785024
     6         -2.96411114         -0.74215330         -0.99283232
     1         -4.33250321          2.65268076         -1.50763863
     1         -3.05181771         -2.43675144         -2.17197577
     6         -4.60802811         -1.14637770          1.34515575
     6         -0.21358665         -0.27789808         -0.30537431
     1         -4.57418160          0.54216472          2.53648181
     1         -3.93046465         -2.72329608          2.48364071
     1         -6.55299941         -1.52640729          0.78048593
     6          1.00404160          1.96899421         -0.92199656
     6          3.51352111          2.36602440         -0.24278496
     6          4.84530803          0.51215967          1.04811616
     6          3.65296374         -1.75294723          1.64806687
     6          1.14840725         -2.13905386          0.97664321
     1         -0.00106860          3.39868869         -1.97952751
     1          4.42917452          4.12679065         -0.74015040
     1          6.79874916          0.81798480          1.57093540
     1          4.67862371         -3.22149310          2.63647280
     1          0.24742690         -3.91743790          1.44411145

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.590086D+00      0.149985D+01      0.500296D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.117051D+03      0.173451D+02      0.192991D+02
   yx         0.644850D+01      0.955570D+00      0.106321D+01
   yy         0.945139D+02      0.140055D+02      0.155832D+02
   zx         0.100571D+02      0.149031D+01      0.165820D+01
   zy        -0.133143D+02     -0.197297D+01     -0.219522D+01
   zz         0.720744D+02      0.106803D+02      0.118835D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103720D+03      0.153697D+02      0.171011D+02
   aniso      0.521557D+02      0.772868D+01      0.859931D+01
   xx         0.128069D+03      0.189778D+02      0.211157D+02
   yx         0.644448D+01      0.954973D+00      0.106255D+01
   yy         0.102498D+03      0.151887D+02      0.168997D+02
   zx         0.105812D+02      0.156797D+01      0.174460D+01
   zy        -0.137346D+02     -0.203526D+01     -0.226453D+01
   zz         0.805928D+02      0.119426D+02      0.132880D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U23-31\Freq\RLC-PBEPBE\Gen\C8H10O1\PIERPA\16-Aug-2021\0\\
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026600000
 0,3/108=0266000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )\\ROA calculations.\\0,1\O,-2.283987,1.15612,-0.373456\C,-1.655795,-0
 .121273,-0.36636\H,-2.318612,1.484471,0.532599\H,-1.860649,-0.52509,-1
 .361656\C,-2.302509,-1.029603,0.677627\C,-0.1477,-0.039181,-0.192779\H
 ,-2.12469,-0.633553,1.681464\H,-1.888324,-2.037154,0.643744\H,-3.37778
 4,-1.08747,0.505904\C,0.491776,1.164959,0.083802\C,1.871834,1.212975,0
 .256826\C,2.632604,0.057673,0.146221\C,2.004188,-1.148889,-0.145245\C,
 0.627734,-1.194232,-0.312182\H,-0.089333,2.074672,0.140318\H,2.351589,
 2.159628,0.471088\H,3.706229,0.09535,0.277421\H,2.588377,-2.054912,-0.
 244841\H,0.152296,-2.139482,-0.545858\\Version=ES64L-G16RevA.03\State=
 1-A\HF=-386.2758876\RMSD=4.625e-09\RMSF=4.960e-06\ZeroPoint=0.1608326\
 Thermal=0.1692188\Dipole=0.1047655,-0.3259345,0.4806164\DipoleDeriv=-0
 .7891136,0.1662208,0.0347325,0.208198,-0.765658,0.1079873,0.0494152,0.
 052172,-0.2402845,0.6077785,-0.1391033,-0.0313711,-0.2849796,0.6405667
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 0157838,0.0107006,-0.1125276,0.0224336,0.0670173,0.0295765,-0.0837209,
 0.0581282,-0.037303,-0.0454525,-0.0106795,0.0040885,-0.0970472,0.00133
 45,-0.0376328,-0.0962276,0.0553377,0.090544,0.0083845,0.0612774,-0.088
 3714,0.0136855,0.00846,-0.0187892,0.0486208,-0.1852964,-0.0450963,-0.0
 014339,-0.0242487,0.0679748,0.0117863,-0.0144256,0.0123647,0.0472103,-
 0.1471023,-0.0649955,0.0205623,-0.0677677,0.0117783,-0.0052467,0.00443
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 4566,0.0124987,-0.0941881,0.0119834,0.0225808,0.0099653,-0.1378542,0.0
 159723,-0.0491478,0.0043664,-0.0688072,0.080312,0.032439,0.0043662,0.0
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 0483379,0.0264008,0.0393599,-0.1146631,0.0666762,0.0755176,0.0050712,0
 .0669426,-0.021303,-0.0198267,0.0072522,-0.0117824,0.1202773,0.0185774
 ,-0.0643562,-0.0202023,-0.0742645,-0.0649074,-0.0404985,-0.0267162,-0.
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 30877,-0.0784786,-0.0308769,-0.0776281,-0.0531133,-0.0368122,-0.028910
 8,-0.0373968,0.1097591\Polar=119.5056871,1.7563184,99.9481782,2.101759
 ,5.589169,64.1850941\Quadrupole=0.4528064,1.9294079,-2.3822143,1.38942
 73,-1.9810098,2.9810045\PG=C01 [X(C8H10O1)]\NImag=0\\0.12119804,-0.114
 08138,0.33677904,-0.00570978,0.13973326,0.54199710,-0.08808965,0.05718
 335,0.00678851,0.45746332,0.05059935,-0.17774373,-0.02530290,0.0060273
 1,0.47606814,-0.01507245,0.02017547,-0.09429089,0.01940195,0.06434023,
 0.57714953,-0.01026911,0.01768353,-0.00349632,-0.00251271,0.00850877,0
 .01916523,0.01431115,0.02286473,-0.07951154,-0.11642446,0.00264106,-0.
 02076800,-0.04129028,-0.02713021,0.10327050,0.01787627,-0.16147701,-0.
 45588987,-0.00209433,0.00191124,-0.00309870,-0.01496583,0.15613002,0.4
 5318137,0.00115967,0.01268114,0.01671971,-0.05733796,-0.02120501,-0.05
 238458,-0.00052452,0.00357169,0.00101084,0.06884292,0.00351085,-0.0258
 9026,-0.03319148,-0.01727146,-0.07388344,-0.07511339,0.00120831,-0.006
 34478,-0.00016513,0.01462120,0.09777790,0.00295958,-0.00459984,0.00123
 372,-0.04518383,-0.08310023,-0.25987645,-0.00035792,0.00060553,0.00245
 705,0.04712875,0.09035855,0.28052869,0.00544209,0.01766740,-0.01122874
 ,-0.09704493,-0.02898860,0.03800216,0.00066983,-0.00135991,-0.00057872
 ,0.00282436,0.00256500,-0.00326042,0.55872630,-0.00510147,-0.04549243,
 0.02740019,-0.02019887,-0.09837254,0.02970773,-0.00024047,0.00183640,0
 .00252577,0.00386705,0.00748848,-0.00541392,-0.03391811,0.53748514,0.0
 0001794,0.00173322,0.00069768,0.02982492,0.04034354,-0.13168724,-0.000
 70179,-0.00161287,0.00422080,0.01407263,0.02031781,-0.02311928,0.03511
 341,0.04203251,0.50788464,-0.02149049,0.01179795,-0.00260278,-0.171260
 51,-0.00807370,-0.01315962,0.00066735,0.00033234,-0.00023147,-0.012621
 49,-0.00389278,-0.00298144,-0.02155311,-0.01134657,0.00340990,0.610288
 71,0.04211756,-0.01174725,0.00393072,-0.01970330,-0.09151687,-0.007390
 95,0.00117845,0.00072794,0.00141398,-0.01291061,0.00102490,-0.00132255
 ,-0.02182499,-0.00002334,-0.00329423,-0.00050474,0.66404768,0.00058236
 ,0.00011236,0.00392596,-0.01515592,-0.00485972,-0.07927004,0.00137336,
 0.00020247,0.00000611,-0.02922984,-0.00460403,-0.00182414,0.02204770,0
 .00262616,0.00417681,0.04613781,0.08078062,0.19720987,-0.00039734,0.00
 123691,-0.00091570,0.00106105,0.00595531,0.01516277,0.00054194,0.00005
 933,-0.00082105,-0.00047841,-0.00208827,0.00218984,-0.05532372,-0.0172
 2455,-0.04085554,0.00157545,0.00085739,0.00058709,0.05489608,-0.000663
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 MYSTERY IS THE WISDOM OF BLOCKHEADS... HORACE WALPOLE 
 Job cpu time:       0 days  3 hours 22 minutes 12.5 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 21.1 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:45:16 2021.
